Molecule FYI-1009189

A

Molecule Summary:

ID: FYI-1009189
Names:
InChIKey: WSGHNEDYQOVONP-UHFFFAOYSA-N
SMILES: CC(=O)c4ccc(S(=O)(=O)Nc3nc(N1CCOCC1)nc(N2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009189 Edit

Molecule Structure InChIKey: WSGHNEDYQOVONP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c4ccc(S(=O)(=O)Nc3nc(N1CCOCC1)nc(N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009189
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.7622    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 17  7  1  0  0  0  0
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 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009189-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    9.4551   -5.9661   -5.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659   -6.3610   -4.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113   -6.9492   -3.7514 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7855   -6.0319   -2.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 55  1  0  0  0  0
M  END
$$$$

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2024-05-22, 964👍, 0💬