Molecule FYI-1007536

A

Molecule Summary:

ID: FYI-1007536
Names:
InChIKey: HCAVFJHOIZFCBQ-XLPZGREQSA-N
SMILES: N#N=NCO[C@H]3C[C@H](n2cnc1c(N)ncnc12)O[C@@H]3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007536 Edit

Molecule Structure InChIKey: HCAVFJHOIZFCBQ-XLPZGREQSA-N

Molecule Structure SMILES String: N#N=NCO[C@H]3C[C@H](n2cnc1c(N)ncnc12)O[C@@H]3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007536
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    7.0293    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0371    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007536-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    2.8971    0.4698   -5.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    0.1850   -5.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -0.1467   -4.9649 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6920   -0.0260   -3.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2363    2.8139   -1.2126 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9456    3.1300   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 51  1  0  0  0  0
M  END
$$$$

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2024-03-07, 169👍, 0💬