Molecule FYI-1008933

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A

Molecule Summary:

ID: FYI-1008933
Names:
InChIKey: YAAWASYJIRZXSZ-UHFFFAOYSA-N
SMILES: Nc1ccnc(N)n1

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

Molecule ID: FYI-1008933 Edit

Molecule Structure InChIKey: YAAWASYJIRZXSZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccnc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008933
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    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 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-1008933-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.0193   -1.0492   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    1.0093   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997   -0.9868    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270   -1.0669    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1521   -0.3163   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726    1.0635    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.3326   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899    1.6388    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    2.7605    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9497   -0.8256    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9508   -0.8243   -0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -2.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091   -0.5736    0.0001 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  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  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  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

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2024-06-03, 176👍, 0💬