Molecule FYI-1008790

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Molecule Summary:

ID: FYI-1008790
Names:
InChIKey: QCHLKHPBQSTJKM-UHFFFAOYSA-N
SMILES: CNc1nc(C)cc(C)c1C#N

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

Molecule ID: FYI-1008790 Edit

Molecule Structure InChIKey: QCHLKHPBQSTJKM-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1nc(C)cc(C)c1C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008790
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   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
    2.4249    1.4000    0.0000 C   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  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  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008790-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -1.3552   -0.8504   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -2.1358   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737    0.1302    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    1.5061    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866    0.2710   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.8673   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9404    0.3682    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412    1.5644    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165    2.7884    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4325    0.3926   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999   -3.3606    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    0.1931   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674    2.5139    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445    2.8605   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538    3.6610    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458    2.8600    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -2.1725   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -0.6228   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053    0.9072    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045    0.9063   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341   -3.4440    0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930   -4.2079    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7263   -3.4515   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  3  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2024-04-29, 824👍, 0💬