Molecule FYI-1008951

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Molecule Summary:

ID: FYI-1008951
Names:
InChIKey: QNTYSDDFYFIVME-UHFFFAOYSA-N
SMILES: CNc1ccnc(C)n1

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

Molecule ID: FYI-1008951 Edit

Molecule Structure InChIKey: QNTYSDDFYFIVME-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1ccnc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008951
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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 N   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 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
    0.0000    2.1000    0.0000 N   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 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008951-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -2.2326    0.2365    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -0.8113    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    0.5386   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191    0.3267    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2407   -0.6346    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    1.5898    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159    1.6351   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9253   -1.0110   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    2.4961    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7501    1.0795   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431    2.5832   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -2.0280    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4815   -2.7493   -0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   -1.7781   -0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -1.6024    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -1.5962   -0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -0.8376    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  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
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1593👍, 0💬