Molecule FYI-1004630

A

Molecule Summary:

ID: FYI-1004630
Names:
InChIKey: KSVAPTZCTBRISM-XNJYKOPJSA-N
SMILES: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(c1cncnc1N)COC2)no3

Received at FYIcenter.com on: 2023-09-15

Molecule ID: FYI-1004630 Edit

Molecule Structure InChIKey: KSVAPTZCTBRISM-XNJYKOPJSA-N

Molecule Structure SMILES String: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(c1cncnc1N)COC2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004630
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   16.6344    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29  9  2  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004630-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.4392   -2.6480   -3.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1318   -3.2406   -3.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0922   -3.7065   -2.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -4.1615   -3.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 53  1  0  0  0  0
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 30 31  1  0  0  0  0
M  END
$$$$

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2023-09-23, 971👍, 0💬