Molecule FYI-1007366

A

Molecule Summary:

ID: FYI-1007366
Names:
InChIKey: LRURHDLAQSDWSF-UHFFFAOYSA-N
SMILES: CC(C)Cc1ccc(C(C)C(=O)O)cc1c3nnc(SC(=O)c2ccccc2)o3

Received at FYIcenter.com on: 2024-02-17

Molecule ID: FYI-1007366 Edit

Molecule Structure InChIKey: LRURHDLAQSDWSF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc1ccc(C(C)C(=O)O)cc1c3nnc(SC(=O)c2ccccc2)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007366
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
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    2.8207   13.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 22 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007366-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    2.4976   -2.5301   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039   -1.1255   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -1.0897    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137   -0.6058    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4315   -0.6393    1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7999   -0.8898    1.3588 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2930    0.2546    2.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790   -2.2190    1.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3895    2.4399   -1.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850    3.1792   -2.4492 S   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
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 28 51  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1448👍, 0💬