Molecule FYI-1014407

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A

Molecule Summary:

ID: FYI-1014407
Names:
InChIKey: QPFYXYFORQJZEC-FOCLMDBBSA-N
SMILES: Nc2ccc(/N=N/c1ccccc1)c(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014407 Edit

Molecule Structure InChIKey: QPFYXYFORQJZEC-FOCLMDBBSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccccc1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014407
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014407-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2688    0.0060   -0.4206 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.0139   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534    1.1741   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    1.1125    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -0.1255    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591   -0.1308    0.4898 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468   -0.9877   -0.2021 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7521   -0.9564   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4559   -0.3173    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8550   -0.3014    0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5684   -0.9376   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8863   -1.6045   -1.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4897   -1.6156   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520   -1.2707    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674   -2.5610    0.2982 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175   -1.2212   -0.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817    0.5691    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551   -0.9619   -0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8526    2.1290   -0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3031    2.0296    0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9196    0.1803    1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3863    0.2127    1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6553   -0.9154   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4364   -2.1095   -1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9645   -2.1349   -1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9297   -2.6697   -0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -3.2200    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

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2025-04-26, 629👍, 0💬