Molecule FYI-1008627

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A

Molecule Summary:

ID: FYI-1008627
Names:
InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N
SMILES: Cc1nccc(N)n1

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

Molecule ID: FYI-1008627 Edit

Molecule Structure InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nccc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008627
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008627-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -0.0068   -1.0444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    1.0388   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880   -1.0297   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188   -0.3052    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    1.0448    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077   -1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201    1.6849   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    1.6016    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906   -2.0319   -0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -0.5008   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461   -1.2076    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    2.7679   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -0.8790    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -0.8788   -0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

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2024-06-03, 161👍, 0💬