Molecule FYI-1001986

A

Molecule Summary:

ID: FYI-1001986
SMILES: NC(C1=C[N+]([C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP([O-])(OP(O)(OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@@H]([C@@H]3O)O)=O)=O)=CC=C1)=O

Received at FYIcenter.com on: 2023-01-11

Molecule ID: FYI-1001986 Edit

Molecule Structure SMILES String: NC(C1=C[N+]([C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP([O-])(OP(O)(OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@@H]([C@@H]3O)O)=O)=O)=CC=C1)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001986
FYIcenter.com

 44 48  0  0  1  0  0  0  0  0999 V2000
   15.9465    6.4747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7695    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2000    4.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8077    3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2382    2.6378    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.8459    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9091    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6301    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7765    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1459    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7153    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7361    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2052    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9928    3.6624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928    4.8748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7804    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679    3.6624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    7.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   10.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   10.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   12.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   11.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442   12.3504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905   13.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579   14.5657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   13.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463   14.8191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881    7.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    7.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785   10.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0612    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4535    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0229    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1618    5.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  1  6  0  0  0
  8 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 33  1  0  0  0  0
 35 24  1  0  0  0  0
 36 35  1  0  0  0  0
 36 22  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  6  0  0  0
 39 18  2  0  0  0  0
 40 15  2  0  0  0  0
 41  5  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 43  3  1  0  0  0  0
 44  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001986-3D
FYIcenter.com

 71 75  0  0  1  0  0  0  0  0999 V2000
    1.9531    3.6297    2.5499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    3.6104    3.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    4.7328    4.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    5.6889    4.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    6.7315    5.4375 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4066    7.7870    5.6362 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2075    7.5048    4.9464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3183    8.6723    4.2965 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5524    9.8149    4.8176 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8868    9.1351    5.0998 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6666    9.8555    6.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0816   10.2688    6.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    8.4619    2.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    7.5062    2.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846    5.9350    2.6440 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1989    5.6112    4.0926 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1409    5.1933    1.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170    5.4616    0.1045 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8551    3.8378   -0.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243    5.3139    0.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5628    5.1485   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0680    4.8237   -0.8986 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3045    3.4976   -0.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7014    3.5813    1.0022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7679    2.7649    1.7394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4046    1.5143    1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7231    0.8346    2.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6511    1.6791    3.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2673    2.8980    3.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705    3.9266    3.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7885    3.6283    5.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    2.4587    5.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1359    1.4655    4.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928    0.2360    4.9026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8994    5.0620    1.3414 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9636    5.6964   -0.0431 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.3367    5.5594   -0.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1426    5.2900    2.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    5.7016   -1.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579    5.6578    2.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    6.8068    6.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5836    5.8569    5.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931    4.8166    5.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    2.6924    3.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    4.4336    2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679    2.8855    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    5.6260    4.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941    7.8049    6.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572    8.7785    4.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   10.6900    4.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    9.0176    4.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238   10.4034    6.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   10.2709    6.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684    8.1448    2.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5653    9.4032    2.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605    3.3920    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039    4.3281   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785    6.0797   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4502    4.8108   -1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6612    3.0530    1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7017    1.1501    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    4.4267    5.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6760    0.0434    5.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544   -0.4994    4.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0873    5.4858    1.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7266    6.7618   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4340    4.6759   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8106    5.4757    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965    7.6323    6.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5024    5.9170    6.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699    4.0713    4.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  2  0  0  0  0
  3  4  2  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 48  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 49  1  1  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 50  1  6  0  0  0
 10 11  1  0  0  0  0
 10 51  1  6  0  0  0
 11 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  2  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 22 59  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 24 60  1  1  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 65  1  1  0  0  0
 36 37  1  0  0  0  0
 36 66  1  1  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
 41 42  1  0  0  0  0
 41 69  1  0  0  0  0
 42 43  2  0  0  0  0
 42 70  1  0  0  0  0
 43 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-03, 2438👍, 0💬