Molecule FYI-1008391

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A

Molecule Summary:

ID: FYI-1008391
Names:
InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N
SMILES: Nc1ncnc(Cl)c1C=O

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008391 Edit

Molecule Structure InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc(Cl)c1C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008391
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008391-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    0.5704   -2.7265    0.0938 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -0.5031   -0.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0631    1.6897   -0.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -0.5541   -0.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.0627    0.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -0.1901    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    1.1647    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -1.0103    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.7866   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   -0.7196    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    1.1806   -0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285   -1.3984    1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    3.0497    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    1.7921    0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1682👍, 0💬