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
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 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
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M  END
$$$$

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2023-02-03, 1692👍, 0💬