Molecule FYI-1013699

A

Molecule Summary:

ID: FYI-1013699
Names:
InChIKey: XWNACTGFJFQPPY-UHFFFAOYSA-N
SMILES: CCc3c(C)[nH]c(Nc2nc(C)c1cc(C)ccc1n2)nc3=O

Received at FYIcenter.com on: 2025-01-22

Molecule ID: FYI-1013699 Edit

Molecule Structure InChIKey: XWNACTGFJFQPPY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc3c(C)[nH]c(Nc2nc(C)c1cc(C)ccc1n2)nc3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013699
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
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   10.9489    4.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7323    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013699-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    3.4289   -2.3219    0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449    1.6007    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5640    1.3199    0.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718    1.5322   -0.0414 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507   -0.5761    0.1288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7254   -0.6359    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104   -0.1582    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    1.1653    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340   -0.4415   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612   -0.8050    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861    0.9544   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 917👍, 0💬