Molecule FYI-1008849

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Molecule Summary:

ID: FYI-1008849
Names:
InChIKey: IOQKVEQARXJQKM-UHFFFAOYSA-N
SMILES: Cc1cc(C)nc(NC#N)n1

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

Molecule ID: FYI-1008849 Edit

Molecule Structure InChIKey: IOQKVEQARXJQKM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)nc(NC#N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008849
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   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
    2.4249    1.4000    0.0000 N   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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  3  0  0  0  0
 11  7  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008849-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    0.3922    0.8068    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6524   -1.3648    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6842   -1.1522    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9123    0.1917   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8392    1.3582   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -0.7468   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077    0.6244   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118   -0.5398    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064    2.8484    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579   -1.6246   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148   -0.4012   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9838    1.0939   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    3.2055    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    3.2875   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4326    3.2065   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748   -2.6824   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6654   -1.4376    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -1.4380   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6826   -2.1658    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  3  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 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
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2024-04-29, 116👍, 0💬