Molecule FYI-1008214

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A

Molecule Summary:

ID: FYI-1008214
Names:
InChIKey: QGDWYZUJWYDEFH-UHFFFAOYSA-N
SMILES: Cc1nn(C)cc1c2ccccc2

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008214 Edit

Molecule Structure InChIKey: QGDWYZUJWYDEFH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nn(C)cc1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008214
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8205    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    5.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    4.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5022    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3106    0.0000 C   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  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008214-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
    2.6425   -0.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    0.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518   -0.0295    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    1.0667    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -1.1313    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913    2.5016    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5790   -0.1365    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -0.1363   -1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8558   -1.4278   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9721   -0.2068    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -0.2063   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -0.2416   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582   -2.1929    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027    2.7571    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863    3.1327    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027    2.7573   -0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -0.1094    2.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510   -0.1089   -2.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4251   -1.1783   -0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258   -1.1781    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055   -2.4914   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5147   -0.2341    2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142   -0.2331   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7531   -0.2961   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1777👍, 0💬