Molecule FYI-1005055

A

Molecule Summary:

ID: FYI-1005055
Names:
InChIKey: VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES: Cc6cc5nc1c(=O)[nH]c(=O)nc1n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n3cnc2c(N)ncnc23)[C@H](O)[C@@H]4O)c5cc6C

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005055 Edit

Molecule Structure InChIKey: VWWQXMAJTJZDQX-UYBVJOGSSA-N

Molecule Structure SMILES String: Cc6cc5nc1c(=O)[nH]c(=O)nc1n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n3cnc2c(N)ncnc23)[C@H](O)[C@@H]4O)c5cc6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005055
FYIcenter.com

 53 58  0  0  1  0  0  0  0  0999 V2000
   14.5493    5.7624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.8494    4.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2532    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1900    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5823    2.6378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2823    3.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8497    5.1817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7865    6.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1559    5.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5885    4.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9579    4.3085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6517    3.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7981    2.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5191    1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4900    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1206    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0802    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.8624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.0369    9.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.1624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    9.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1494    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20  5  1  0  0  0  0
 20 21  1  6  0  0  0
 22  1  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  1  0  0  0
 29 27  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  0  0  0  0
 31 32  1  1  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 39 34  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
 44 43  1  0  0  0  0
 44 38  1  0  0  0  0
 45 44  2  0  0  0  0
 46 36  1  0  0  0  0
 47 46  2  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 49 35  1  0  0  0  0
 50 48  1  0  0  0  0
 51 47  1  0  0  0  0
 52 23  1  0  0  0  0
 53  1  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-10-27, 1376👍, 0💬