Molecule FYI-1008941

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Molecule Summary:

ID: FYI-1008941
Names:
InChIKey: SMPCNKPYFMZJMO-UHFFFAOYSA-N
SMILES: Cc1ncnc(N)c1C

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

Molecule ID: FYI-1008941 Edit

Molecule Structure InChIKey: SMPCNKPYFMZJMO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncnc(N)c1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008941
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   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  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008941-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -1.1712    1.3346   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    1.2943    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999   -0.7721   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1568   -0.0144   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787   -0.0535    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -2.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -0.6785    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954   -2.7122    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8120   -2.6389    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2339   -2.6271   -1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -1.2119    0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951    0.0623   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -1.3761   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617    2.9988    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -1.2906    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -1.3469   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  2  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  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
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1442👍, 0💬