Molecule FYI-1008387

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A

Molecule Summary:

ID: FYI-1008387
Names:
InChIKey: VBWWCYYBZFKCEX-UHFFFAOYSA-N
SMILES: Nc1nc[nH]c(=S)n1

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

Molecule ID: FYI-1008387 Edit

Molecule Structure InChIKey: VBWWCYYBZFKCEX-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc[nH]c(=S)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008387
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 N   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 N   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 S   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 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  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008387-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    2.6793    0.9998   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.9632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.9332   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    1.2030    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564   -1.1571    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.2134    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -1.6532   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    1.9764   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    2.2108    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.8403    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1227👍, 0💬