Molecule FYI-1007242

A

Molecule Summary:

ID: FYI-1007242
Names:
InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N
SMILES: Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O

Received at FYIcenter.com on: 2024-02-10

Molecule ID: FYI-1007242 Edit

Molecule Structure InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N

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-1007242
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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    7.5930    4.2415    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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 11 10  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  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-1007242-3D
FYIcenter.com

 47 49  0     1  0  0  0  0  0999 V2000
    3.5679   -1.4967   -1.4227 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.4507    1.2395   -0.7907 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.8789    2.6754    1.2518 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487   -1.1423   -0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2083   -2.2497   -0.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.0002   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.1486   -0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608   -1.5512   -2.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    2.4490   -0.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392    1.6393   -2.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0210    4.0296    1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498    1.5217    1.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449    2.7017    2.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9251   -0.7792   -1.9064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242    1.3392    0.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6529    2.0242   -0.2225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3963    0.9618   -2.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -1.7904    1.7408 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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2024-02-18, 1681👍, 0💬