Molecule FYI-1005521

A

Molecule Summary:

ID: FYI-1005521
Names:
InChIKey: OEGTUVRTJIQPPJ-UHFFFAOYSA-N
SMILES: N#N=NCOC3CC(n2cnc1c(=O)[nH]c(N)nc12)OC3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

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

Molecule ID: FYI-1005521 Edit

Molecule Structure InChIKey: OEGTUVRTJIQPPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: N#N=NCOC3CC(n2cnc1c(=O)[nH]c(N)nc12)OC3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005521
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    1.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    2.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    1.3156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3109    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005521-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
    3.8167    1.3100   -0.8782 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.7447   -1.4130    0.2381 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.1042   -2.7278    0.2936 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    2.8072   -1.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    1.2557    1.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6882    2.4641   -0.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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 31 43  1  0  0  0  0
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 33 45  1  0  0  0  0
M  END
$$$$

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2023-11-09, 2653👍, 0💬