Molecule FYI-1008553

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A

Molecule Summary:

ID: FYI-1008553
Names:
InChIKey: GQJKIUVXXQXJFO-UHFFFAOYSA-N
SMILES: NCCc1nnc[nH]1

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

Molecule ID: FYI-1008553 Edit

Molecule Structure InChIKey: GQJKIUVXXQXJFO-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1nnc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008553
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008553-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.0049    1.0376   -0.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -1.1459   -0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917    0.0587    0.1308 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    0.7365    0.2174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -0.0392   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    0.0361    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827   -0.0875   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2040   -0.5963    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363    0.8202   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923   -0.9379   -1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    0.9352    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254   -0.8235    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381    2.0090   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993   -0.7725   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537    0.8525   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710   -1.1855    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 169👍, 0💬