Molecule FYI-1008297

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A

Molecule Summary:

ID: FYI-1008297
Names:
InChIKey: LVFRCHIUUKWBLR-UHFFFAOYSA-N
SMILES: COc1cc(OC)nc(N)n1

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008297 Edit

Molecule Structure InChIKey: LVFRCHIUUKWBLR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(OC)nc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008297
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   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
    3.6374    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 O   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   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
  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  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008297-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.3703   -1.2256   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701   -1.2258   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048    0.7790    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    0.7788    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    2.7925   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680   -0.5698    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -0.5699    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -1.3047    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.3803    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413   -0.4172   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412   -0.4176   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -2.3875    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5912    0.2018    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4096   -1.0827   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5905    0.2025   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094   -1.0832   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915    0.2010    0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902    0.2024   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    3.2891   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795    3.2895   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1378👍, 0💬