Molecule FYI-1009025

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A

Molecule Summary:

ID: FYI-1009025
Names:
InChIKey: QPHBCOSULYSASF-UHFFFAOYSA-N
SMILES: COc1ccnc(N)c1

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009025 Edit

Molecule Structure InChIKey: QPHBCOSULYSASF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccnc(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009025
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   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 C   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 N   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 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009025-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.0327   -0.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.9956   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7393   -1.1288    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8234   -0.2859   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5007    1.6898    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1925   -0.0777    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081   -2.1196   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129    1.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098    2.7695    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0651   -0.7391    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509    0.5304   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509    0.5303    0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114   -2.0503    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179   -0.6257    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1884👍, 0💬