Molecule FYI-1008932

Home > Molecule

A

Molecule Summary:

ID: FYI-1008932
Names:
InChIKey: ZISKLPYPMZTPOD-UHFFFAOYSA-N
SMILES: Nc2cc(c1ccccc1)nc(N)n2

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

Molecule ID: FYI-1008932 Edit

Molecule Structure InChIKey: ZISKLPYPMZTPOD-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(c1ccccc1)nc(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008932
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  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
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008932-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.8382    1.1636    0.1482 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    0.0746    0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0974   -2.2847   -0.2905 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277    2.3970    0.3056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867   -0.0332   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602   -0.0442   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616   -1.2210   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923   -1.1419    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761    1.0862   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -1.0997   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2871   -1.1314    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710    1.0967   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9764   -0.0122   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.1502    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4924   -2.1862   -0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -2.0238    0.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3574    1.9623   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8369   -1.9921    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    1.9671   -0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0624   -0.0036   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938   -3.1600    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -2.1887   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    2.4385    0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    3.2335    0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  2  0  0  0  0
  2 10  2  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 159👍, 0💬