Molecule FYI-1013732

A

Molecule Summary:

ID: FYI-1013732
Names:
InChIKey: LWJLTJBKAGAPEX-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c4cc(N1CCCC1=O)n3ncc(C2CCCCC2)c3n4

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

Molecule ID: FYI-1013732 Edit

Molecule Structure InChIKey: LWJLTJBKAGAPEX-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c4cc(N1CCCC1=O)n3ncc(C2CCCCC2)c3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013732
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7183    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6552    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5516    5.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  7  1  0  0  0  0
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 18 17  1  0  0  0  0
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 24 14  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013732-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.9504   -1.1552   -1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -0.0495   -0.0968 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678    0.5732    0.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1529   -0.7283    0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166    1.2286   -1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    2.6267   -0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2868    3.5865   -1.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628    4.9133   -1.7100 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    5.9716   -2.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683    7.2517   -1.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808    6.8300   -0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4981    4.7670    0.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619    3.1960   -3.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    3.9607   -4.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649    3.1490   -4.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9737    0.6622   -4.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778   -0.4317   -5.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786   -1.6411   -5.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7484   -2.1864   -5.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7656   -1.1114   -4.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0913    0.1124   -4.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    1.8594   -3.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    0.8643   -2.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6383    7.6133   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
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  5 25  2  0  0  0  0
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  6 29  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
$$$$

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2025-02-16, 963👍, 0💬