Molecule FYI-1009193

A

Molecule Summary:

ID: FYI-1009193
Names:
InChIKey: RKECHTBCUOPVCG-UHFFFAOYSA-N
SMILES: O=S(=O)(Nc3nc(N1CCOCC1)nc(N2CCOCC2)n3)c4ccc(Cl)cc4

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

Molecule ID: FYI-1009193 Edit

Molecule Structure InChIKey: RKECHTBCUOPVCG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1009193
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.5497    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    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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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23  2  1  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 29 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009193-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    3.3077    1.0314   -0.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278   -0.2073    0.2273 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.2876    1.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585   -1.3968   -0.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998   -2.6814   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648   -3.0228   -0.1605 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -4.2762    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2209   -3.9842    0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -3.7216    1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848   -4.9390    2.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -5.5714    2.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2733   -5.0978    0.3646 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735   -4.6546    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7791   -7.0007    0.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242   -5.6175    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8487   -5.1868   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8032   -1.3114    2.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 22  2  0  0  0  0
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  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 18 41  1  0  0  0  0
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 29 50  1  0  0  0  0
M  END
$$$$

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2024-05-22, 1235👍, 0💬