Molecule FYI-1010218

A

Molecule Summary:

ID: FYI-1010218
Names:
InChIKey: XSUDHLALUNTPJT-UHFFFAOYSA-N
SMILES: CCCN(CCOC)c3nnc4ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cn34

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010218 Edit

Molecule Structure InChIKey: XSUDHLALUNTPJT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN(CCOC)c3nnc4ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1010218
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.3832    8.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    7.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832    9.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    7.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8746    9.9855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114   11.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1114   12.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7420   11.9473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6808   13.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0503   13.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010218-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.2851    0.2468    2.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    0.7297    0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939    0.0325    0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163   -1.4104    0.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865   -1.8406   -0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -0.7802   -1.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7575    0.0149   -1.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -0.7168   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2722   -2.2131    1.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986   -1.8612    2.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1301   -9.5898    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
$$$$

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