Molecule Editor

Molecule ID: FYI-1015406 Edit

Molecule Structure InChIKey: IAUIIRHAVLYYOT-DLTLXFJOSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2[C@@H]3O[C@@]4(COP(=O)(O)OCCCO)CO[C@@H]3[C@@H]4OP(=O)(O)OCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015406
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   17.4168    8.1402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4390    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7828    5.8509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8050    4.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4834    5.2555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1395    6.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1173    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5049    8.7717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1486    8.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9229    7.2159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6958    6.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4791    7.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5013    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3137    6.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1260    6.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9383    6.9604    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6240    8.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526    8.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7506    6.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    6.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    6.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0264    4.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4699    5.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1136    5.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4002    3.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1108    3.7706    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    5.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8941    4.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    2.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1079    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4751    1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1050    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  6  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 27 13  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015406-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    0.7885   -0.5349    1.1056 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1404   -0.7505    1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -0.1146    2.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793   -0.3329    2.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521   -1.1547    2.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821   -1.6941    0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652   -1.5676    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344   -2.2687   -0.5997 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045   -2.8119   -0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424   -2.5467    0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340   -2.9725    0.0680 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5108   -3.8236   -1.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442   -5.0823   -0.5277 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0668   -6.1285   -1.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7823   -6.3510   -2.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7714   -7.5617   -3.4921 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.5392   -8.6384   -2.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779   -7.0808   -3.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605   -8.7724   -4.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791   -8.3235   -5.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742   -9.4216   -7.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7506   -9.9135   -7.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252   -8.8465   -7.6984 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4315   -4.7392    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1218   -3.9386    1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6399   -3.8681    1.2263 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2467   -5.2737    0.7854 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7474   -6.0678    1.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8673   -7.2650    2.5255 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.4208   -7.2258    2.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577   -8.3606    1.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213   -7.6162    4.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4152   -7.6447    5.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347   -8.9924    5.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3298   -9.9087    6.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3888   -9.1946    6.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832    0.3691    1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -0.8114    0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568    0.1898    3.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -3.4002   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8577   -2.0742   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166   -5.7758   -2.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665   -7.0793   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -7.5522   -3.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315   -8.0584   -5.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422   -7.4226   -6.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7912  -10.2771   -6.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -9.0305   -7.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162  -10.3555   -6.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481  -10.6819   -8.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   -8.3533   -6.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393   -4.1221   -0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -5.6318    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058   -3.5940    2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830   -5.4080    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6656   -8.0119    1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4558   -7.1870    4.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -7.0031    5.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -9.5763    5.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -8.7566    6.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818  -10.3486    5.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565  -10.7363    6.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8664   -8.7461    6.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  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 39  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 40  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 41  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 13 27  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  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 44  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  1  0  0  0
 27 28  1  0  0  0  0
 27 55  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 35  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END
$$$$