Molecule FYI-1006188

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Molecule Summary:

ID: FYI-1006188
Names:
InChIKey: PPWIRQWEAABLJI-UHFFFAOYSA-O
SMILES: c2cc[n+]1NCNc1c2

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006188 Edit

Molecule Structure InChIKey: PPWIRQWEAABLJI-UHFFFAOYSA-O

Molecule Structure SMILES String: c2cc[n+]1NCNc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006188
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006188-3D
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.8913    1.0511    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -0.3189    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -1.2286   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   -0.7582   -0.1652 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3232   -1.5580   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3544   -0.5306   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    0.8256   -0.2759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    0.5565   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747    1.4999   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078    1.7716    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1946   -0.6703    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -2.3027   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649   -2.3028    0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -0.6256    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501   -0.6823   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1290    1.4799    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514    2.5621   -0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1235👍, 0💬