Molecule FYI-1008309

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Molecule Summary:

ID: FYI-1008309
Names:
InChIKey: ATHPNYQIYLPFFO-UHFFFAOYSA-N
SMILES: Cc1ncnc(N)n1

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

Molecule ID: FYI-1008309 Edit

Molecule Structure InChIKey: ATHPNYQIYLPFFO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncnc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008309
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    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
    1.2125    4.2000    0.0000 N   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 N   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  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  6  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008309-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.0116    1.0419    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -1.0589    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -1.0126   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    1.0559    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    0.2829    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245    1.0033   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245    0.3262   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0403   -1.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    1.6786    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265    1.5905   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2652    0.3048    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0612   -2.7213    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136    0.5594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040    2.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

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2024-07-11, 2344👍, 0💬