Molecule FYI-1004665

A

Molecule Summary:

ID: FYI-1004665
Names:
InChIKey: KBGFSAQGQOQLPY-JLZUIIAYSA-N
SMILES: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CC(c1cncnc1N)COC2)no3

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

Molecule ID: FYI-1004665 Edit

Molecule Structure InChIKey: KBGFSAQGQOQLPY-JLZUIIAYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004665
FYIcenter.com

 31 33  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
   12.4276    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
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    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1276    2.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 27  1  0  0  0  0
 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-1004665-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    1.8621   -0.4060    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -0.5812   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 2139👍, 0💬