Molecule FYI-1014493

A

Molecule Summary:

ID: FYI-1014493
Names:
InChIKey: KMRRHDHWRMTXAN-KPKSGTNCSA-N
SMILES: Nc1ncnc2c1ncn2[C@@H]5O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]5O

Received at FYIcenter.com on: 2025-04-22

Molecule ID: FYI-1014493 Edit

Molecule Structure InChIKey: KMRRHDHWRMTXAN-KPKSGTNCSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2[C@@H]5O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014493
FYIcenter.com

 67 71  0  0  1  0  0  0  0  0999 V2000
   18.7838   11.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2144   12.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8221   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9991   11.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6069   11.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5687   10.1885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9609   10.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5304    8.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2526   13.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9526   15.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0158   16.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369   15.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8832   14.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5245   16.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120   15.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996   16.2624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.7996   17.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   17.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   15.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   14.1624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871   14.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871   12.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747   13.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   14.1624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622   15.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   15.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   13.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   12.0624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   12.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498   10.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   11.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   12.0624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   13.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   13.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   11.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    9.9624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    9.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    7.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    5.7624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1574    1.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363    2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2900    3.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2268    4.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    5.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4247    6.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4879    5.1817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9206    3.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5962    4.3085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3069   17.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3450   15.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 32  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 36  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 40  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 44  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  1  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 53 49  1  0  0  0  0
 52 54  1  1  0  0  0
 55 54  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 58  1  0  0  0  0
 60 59  2  0  0  0  0
 61 60  1  0  0  0  0
 62 61  2  0  0  0  0
 62 57  1  0  0  0  0
 62 54  1  0  0  0  0
 63 58  1  0  0  0  0
 51 64  1  6  0  0  0
 50 65  1  6  0  0  0
 11 66  1  1  0  0  0
 10 67  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014493-3D
FYIcenter.com

 98102  0  0  1  0  0  0  0  0999 V2000
   12.9082   10.0603    6.8865 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1993   10.6166    5.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8431   10.6998    4.5777 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1548   10.9300    3.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8738   11.1972    3.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2194   11.0696    4.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   10.7744    5.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8159   10.6493    6.7608 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7149   11.0515    6.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900   11.2779    4.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9055   11.8261    3.9083 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1093   10.7805    3.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279   10.9776    1.8389 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8496    9.7928    1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0898    9.5050   -0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637    8.1539   -0.3327 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.6918    7.4762   -1.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4541    8.9231   -0.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    7.2835    1.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2950    6.2765    1.5231 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.6494    5.0987    0.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5288    7.2829    1.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2109    5.9326    3.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3385    6.3500    4.3363 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.9216    6.6881    4.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3611    5.0126    5.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0836    7.4064    5.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6752    8.0351    5.1400 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.1529    8.5956    3.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3462    8.5375    6.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2668    8.6638    4.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0879    6.8676    4.9156 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.0904    5.7513    5.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3633    6.8054    3.3249 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6304    6.2076    5.4797 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3492    7.0485    6.8098 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.9681    7.4230    7.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6185    5.5713    7.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0680    7.8893    8.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7295    7.3773    8.5072 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.6814    7.7288    9.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4569    5.8480    8.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3904    6.9673    8.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3982    8.3412    8.1280 P   0  0  3  0  0  0  0  0  0  0  0  0
   22.0154    8.2538    9.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3725    7.3949    7.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4059    9.7152    7.8286 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6551   10.9212    7.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5485   12.1336    7.4660 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.5018   12.2930    8.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8344   12.0953    8.0108 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.6542   11.2982    8.9200 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0884   10.3462    9.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8174    9.5498   10.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2772    9.6949   10.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9792    8.9711   11.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7728   10.6601    9.6874 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0345   11.4616    8.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6027   12.2649    8.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6860   11.4828    6.6111 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.7317   11.8372    5.7130 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3495   12.0504    6.1692 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.5483   13.3646    5.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881   12.4265    1.6479 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3973   13.3484    1.8164 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604   12.6931    2.7841 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5216   14.0664    3.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8802    9.9170    6.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   10.0196    7.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555   10.9496    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7684   11.2087    6.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163   12.4037    4.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652   10.8628    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3213    8.9044    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8237    9.8140    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    9.6872    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2103    8.0511    2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249    4.5188    5.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657    8.3137    7.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5877    6.3689    2.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3146    5.3559    8.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0178    5.6904    9.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9264    6.8908    7.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1335   11.0543    8.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8959   10.8135    6.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9162   13.0276    7.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2781   13.0951    7.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0070   10.2489    9.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3786    8.7927   11.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7719   10.7478    9.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6291   10.3913    6.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5873   12.7687    5.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8674   11.4518    5.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6764   14.0067    6.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9143   12.6190    0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7795   13.0284    2.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4538   12.4079    2.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   14.4779    2.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 68  1  0  0  0  0
  1 69  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 70  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 71  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 66  1  0  0  0  0
 11 72  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 73  1  6  0  0  0
 14 15  1  0  0  0  0
 14 74  1  0  0  0  0
 14 75  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 76  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 77  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 78  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 79  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 80  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 81  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 42 82  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
 46 83  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 84  1  0  0  0  0
 48 85  1  0  0  0  0
 49 50  1  0  0  0  0
 49 62  1  0  0  0  0
 49 86  1  6  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 60  1  0  0  0  0
 51 87  1  6  0  0  0
 52 53  1  0  0  0  0
 52 58  1  0  0  0  0
 53 54  2  0  0  0  0
 53 88  1  0  0  0  0
 54 55  1  0  0  0  0
 54 89  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 90  1  0  0  0  0
 58 59  2  0  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 60 91  1  1  0  0  0
 61 92  1  0  0  0  0
 62 63  1  0  0  0  0
 62 93  1  6  0  0  0
 63 94  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  1  0  0  0  0
 64 95  1  6  0  0  0
 65 96  1  0  0  0  0
 66 67  1  0  0  0  0
 66 97  1  6  0  0  0
 67 98  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1376👍, 0💬