Molecule FYI-1013737

A

Molecule Summary:

ID: FYI-1013737
Names:
InChIKey: UBDMTVLWBRATQM-UHFFFAOYSA-N
SMILES: COc1cccnc1c3cc(S(=O)(=O)C(C)C)nc4c(C2CCCCC2)cnn34

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013737 Edit

Molecule Structure InChIKey: UBDMTVLWBRATQM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cccnc1c3cc(S(=O)(=O)C(C)C)nc4c(C2CCCCC2)cnn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013737
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013737-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    5.6768    3.8107    2.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479    3.2820    1.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779    2.0526    1.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9331    1.6011    3.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    0.3644    3.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329   -0.3827    2.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343    0.0194    0.8917 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1611    1.2242    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835    1.6109   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    2.2437   -1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8960    4.7844   -4.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1129👍, 0💬