Molecule FYI-1007319

A

Molecule Summary:

ID: FYI-1007319
Names:
InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-K
SMILES: Nc1ncnc2c1ncn2C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C(O)C3O

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007319 Edit

Molecule Structure InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-K

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007319
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.0182    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2973    4.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435    3.5309    0.0000 C   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
   12.8856    4.6698    0.0000 N   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
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3047    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
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   16.7225    2.9615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
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 29 12  1  0  0  0  0
 30 11  1  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007319-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    4.3604    0.2502   -0.2602 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.4697   -1.9209   -1.0471 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.6856   -2.5818    1.2206 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.5476    1.1020    0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307    2.8983   -1.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242    3.8773    1.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3633    1.1255    0.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2578   -0.4999   -1.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636   -0.7965    0.5770 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1563    1.2094   -1.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979   -1.6356    0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5915   -2.7777    0.4344 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4581   -3.7661    1.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    0.7685    0.2254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906    0.2982    1.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8880   -1.0619   -1.4599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9304   -1.0825    0.6941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    2.7429   -0.6512 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 41  1  0  0  0  0
M  END
$$$$

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