Molecule FYI-1004667

A

Molecule Summary:

ID: FYI-1004667
Names:
InChIKey: WQTYTWJBMBSMIW-JLZUIIAYSA-N
SMILES: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(C1=CN=CN(CO)C1N)COC2)no3

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004667 Edit

Molecule Structure InChIKey: WQTYTWJBMBSMIW-JLZUIIAYSA-N

Molecule Structure SMILES String: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(C1=CN=CN(CO)C1N)COC2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004667
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   12.9970    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   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
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 31  9  2  0  0  0  0
 32  4  2  0  0  0  0
 33 32  1  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004667-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
   -7.6275   -1.3212    6.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3233   -1.8223    5.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9458   -2.7644    4.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5274   -2.7722    5.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200   -3.6307    4.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1701   -4.4253    3.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2060👍, 0💬