Molecule FYI-1008931

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Molecule Summary:

ID: FYI-1008931
Names:
InChIKey: BTMCCOMLYMKBFL-UHFFFAOYSA-N
SMILES: CCCc1nccc(N)n1

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

Molecule ID: FYI-1008931 Edit

Molecule Structure InChIKey: BTMCCOMLYMKBFL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1nccc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008931
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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 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
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008931-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    0.4805    0.8807   -0.2753 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -1.4920   -0.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    1.7485    0.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7465   -0.0011   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5956    0.2207    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -0.2188   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0531    0.4695    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    0.6494    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2912   -0.6067    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3934   -1.6503    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296    0.8639   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1182   -0.8691   -1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -0.6526    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123    1.0774    1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575    1.3596   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4767   -0.3841   -0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6429    0.6245    1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316   -0.7786    0.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -2.6740    0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    1.6736    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753    2.6679   -0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  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 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-06-03, 180👍, 0💬