Molecule FYI-1013787

A

Molecule Summary:

ID: FYI-1013787
Names:
InChIKey: UXOPYMKNEIOXOS-UHFFFAOYSA-N
SMILES: Cn3c(=O)n(CC#N)c(=O)c2cc(S(=O)(=O)NC1(C)CC1)ccc23

Received at FYIcenter.com on: 2025-01-25

Molecule ID: FYI-1013787 Edit

Molecule Structure InChIKey: UXOPYMKNEIOXOS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)n(CC#N)c(=O)c2cc(S(=O)(=O)NC1(C)CC1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1013787
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.8871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 11  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013787-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -3.0799   -0.7909   -0.6684 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1780    0.1691   -1.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -2.0857   -0.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    1.7934   -1.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.8752    0.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6019   -0.0476    0.7864 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352   -1.6677    0.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2193    0.4882   -0.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0769    3.5031    0.9655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758    0.9574    0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436    2.1040    1.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    2.3604    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9681    0.3656    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -1.0536   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496   -0.0778   -0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.2383    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112   -0.2891   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479   -1.4733    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844   -2.4470    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    0.7607   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.6993    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647   -2.9213    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9457    1.9116   -1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960    1.1284   -0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  7 18  1  0  0  0  0
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  7 22  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  3  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 19  2  0  0  0  0
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 23 24  1  0  0  0  0
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 23 40  1  0  0  0  0
M  END
$$$$

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2025-02-16, 807👍, 0💬