Molecule Editor

Molecule ID: FYI-1007775 Edit

Molecule Structure InChIKey: VIZZMTJAVASDJJ-DMALGBCRSA-M

Molecule Structure SMILES String: COc2cccc1/C=N\C(C(C)C)\C(O)=[O+]/[Cu]Oc12.c2ccc(c1ccccn1)nc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007775
FYIcenter.com

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    0.0000    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    0.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2787    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1363    6.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    7.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    7.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363    8.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576    6.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7564    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9688    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9688    3.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9688    4.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    5.4218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    6.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9688    7.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7564    6.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7564    5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  7  2  0  0  0  0
 19  3  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007775-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$