Molecule FYI-1009029

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A

Molecule Summary:

ID: FYI-1009029
Names:
InChIKey: SJWHILBZPGQBJE-UHFFFAOYSA-N
SMILES: CCc1ccnc(N)c1

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

Molecule ID: FYI-1009029 Edit

Molecule Structure InChIKey: SJWHILBZPGQBJE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccnc(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009029
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 N   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
    4.8498    2.1000    0.0000 N   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
    1.2124    4.2000    0.0000 C   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
    2.4249    2.1000    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  7  1  0  0  0  0
  9  6  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009029-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    1.8122    0.7663   -0.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317   -1.5315   -0.0879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    0.0548    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641   -0.3242    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -0.9253    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5024    1.3903    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382   -0.6002   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403   -0.5211   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    1.6909   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -1.2112    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667    0.4722    1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1111   -1.9737    0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444    2.1803    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    0.2828   -1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720   -0.8743   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -1.4226   -1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    2.7172   -0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871   -2.3834    0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -1.2309   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1005👍, 0💬