Molecule FYI-1010995

A

Molecule Summary:

ID: FYI-1010995
Names:
InChIKey: XJOMURUCYDYOHQ-XJCFEQDKSA-N
SMILES: N#C/C=C(C#N)\\N3N[C@H]2CC[C@H](S(O)(O)NC[C@H]1CCC[C@H](F)C1)CN2[C@H]3CC#N

Received at FYIcenter.com on: 2024-07-23

Molecule ID: FYI-1010995 Edit

Molecule Structure InChIKey: XJOMURUCYDYOHQ-XJCFEQDKSA-N

Molecule Structure SMILES String: N#C/C=C(C#N)\N3N[C@H]2CC[C@H](S(O)(O)NC[C@H]1CCC[C@H](F)C1)CN2[C@H]3CC#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1010995
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
   13.6705    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2705    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8705    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4705    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7400    4.9162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1025    3.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
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 27 28  1  6  0  0  0
 29 28  1  0  0  0  0
 30 29  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010995-3D
FYIcenter.com

 58 60  0  0  1  0  0  0  0  0999 V2000
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   -4.0748  -15.7835   -7.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-08-06, 808👍, 0💬