Molecule FYI-1008382

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A

Molecule Summary:

ID: FYI-1008382
Names:
InChIKey: LMZLTBMBIZUPOS-UHFFFAOYSA-N
SMILES: c2ccc(Nc1ncccn1)nc2

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

Molecule ID: FYI-1008382 Edit

Molecule Structure InChIKey: LMZLTBMBIZUPOS-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Nc1ncccn1)nc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008382
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   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
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008382-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    0.0235    1.0023   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3832   -0.9208   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509    1.3005   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -0.9078   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712    0.4266   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    0.4402   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512    1.2946    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283    0.7446    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841   -0.6371    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400   -1.4187   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721    0.7268    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -1.4137    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781   -0.6376    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    2.0176   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2249    2.3724    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5005    1.3913    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7699   -1.0878    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7073   -2.5017   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086    1.4174    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989   -2.4967    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -1.0705    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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