Molecule FYI-1013670

A

Molecule Summary:

ID: FYI-1013670
Names:
InChIKey: VEZBPFUUMDZXBX-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c5cc(c1ncccc1C2CC2)n4ncc(C3CCCCC3)c4n5

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013670 Edit

Molecule Structure InChIKey: VEZBPFUUMDZXBX-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c5cc(c1ncccc1C2CC2)n4ncc(C3CCCCC3)c4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013670
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
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    5.8195    0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2224    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7267    7.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6635    8.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0328    8.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  7  1  0  0  0  0
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 23 22  1  0  0  0  0
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 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
 28  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013670-3D
FYIcenter.com

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.3651   -0.5967    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9198    0.0457   -0.0214 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -0.9764   -0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.3611    0.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    0.2969   -1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555    1.6955   -2.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889    1.8819   -3.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    3.2481   -3.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    3.8967   -3.6014 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    5.1571   -4.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3098    5.1428   -5.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7936    3.0981   -5.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969    3.8662   -5.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    2.9071   -4.1631 C   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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  5 28  2  0  0  0  0
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  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
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  8 13  2  0  0  0  0
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 25 50  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1222👍, 0💬