Molecule FYI-1002364

A

Molecule Summary:

ID: FYI-1002364
Names:
InChIKey: MJSFXXKCFNIZGB-UHFFFAOYSA-N
SMILES: COC(=O)C3CN(c2nc(C)cc(Nc1cc(C)[nH]n1)n2)CCN3C(=O)OC(C)(C)C

Received at FYIcenter.com on: 2023-03-08

Molecule ID: FYI-1002364 Edit

Molecule Structure InChIKey: MJSFXXKCFNIZGB-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C3CN(c2nc(C)cc(Nc1cc(C)[nH]n1)n2)CCN3C(=O)OC(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002364
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.4348    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0099    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0099    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0099    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0099    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9477    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 18  7  1  0  0  0  0
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 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  2  0  0  0  0
 31 23  2  0  0  0  0
 31 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002364-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    1.1304    2.4547    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    2.2053    1.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    0.9527    0.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615    0.0752    0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4369    0.8145    1.0279 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0206    0.4098   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4834    0.4180   -0.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474    0.9384   -1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6399    1.4982   -2.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4150    2.0340   -3.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7507    2.6790   -4.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890    2.0168   -3.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3451    1.4232   -2.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4599    0.4191   -1.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0616   -0.9299   -1.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2170   -2.9194    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9782   -0.5466   -0.2019 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6664    0.6299   -0.7845 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788    0.9059   -1.1477 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691   -0.4715    0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-04, 1202👍, 0💬