Molecule FYI-1008620

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A

Molecule Summary:

ID: FYI-1008620
Names:
InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N
SMILES: Nc1cc(N)nc(N)n1

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

Molecule ID: FYI-1008620 Edit

Molecule Structure InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(N)nc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008620
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  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  7  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008620-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.2049   -0.6995   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049   -0.6997   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    1.3657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898    1.3655   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -2.7130    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679    0.6492   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    0.6489    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3840    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.3010   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015    2.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    0.8200    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077    2.2882    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381    1.9203    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    1.9192   -0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797   -3.2101    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -3.2098    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  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  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 166👍, 0💬