Molecule FYI-1008936

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A

Molecule Summary:

ID: FYI-1008936
Names:
InChIKey: VOUIBGCNFWNXSC-UHFFFAOYSA-N
SMILES: CC(C)NC(=S)Nc1ccccn1

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

Molecule ID: FYI-1008936 Edit

Molecule Structure InChIKey: VOUIBGCNFWNXSC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=S)Nc1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008936
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008936-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
    0.7318   -2.6128   -0.2560 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480   -0.6498    0.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    0.0886    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777   -0.9865    0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.6748    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2035    1.2966   -1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    0.5850    0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.9896   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884    0.1656    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    1.4267    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286    1.5131    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917    0.3512    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240   -0.8628    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    1.3068    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039   -1.4160   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    2.3007   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745    0.6914   -1.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509    1.3817   -1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    0.1349    1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    1.5788    1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584   -0.0325    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543    1.0070    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400    2.3292    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146    2.4840    0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9748    0.3945    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -1.7983   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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2024-06-03, 159👍, 0💬