Molecule FYI-1008378

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A

Molecule Summary:

ID: FYI-1008378
Names:
InChIKey: FPYGYIZVZZXXBO-UHFFFAOYSA-N
SMILES: Nc2ncc1cccnc1n2

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

Molecule ID: FYI-1008378 Edit

Molecule Structure InChIKey: FPYGYIZVZZXXBO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ncc1cccnc1n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008378
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008378-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -1.0233   -1.1013    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -1.4666   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    1.1247    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -0.7504   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432    0.7632   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2248   -0.6196    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.2617   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    1.5861   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206    0.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0388   -0.2121    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224   -0.9659   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432    2.3321   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914    2.6684   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    0.7328    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117   -1.7106   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1390   -0.1263   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680   -1.7533   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1491👍, 0💬