Molecule FYI-1008633

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Molecule Summary:

ID: FYI-1008633
Names:
InChIKey: MVHONLHZERWNRF-UHFFFAOYSA-N
SMILES: Cc1nc(=O)cc(N)[nH]1

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

Molecule ID: FYI-1008633 Edit

Molecule Structure InChIKey: MVHONLHZERWNRF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc(=O)cc(N)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008633
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008633-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    0.5065    2.5969   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.2963    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    0.4492   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315   -0.9222   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0282   -0.8155    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3466   -0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    0.8772   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -1.8254   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    1.3835    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -2.2907    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883    1.6176   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -2.4941    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178   -1.3285    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962   -2.4148   -0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4146   -0.2808   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -1.9222    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 169👍, 0💬