Molecule Editor

Molecule ID: FYI-1004000 Edit

Molecule Structure InChIKey: YNYQNHMOXHYVDH-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4cccc(CSc3nnc(c2ccc1nccnc1c2)o3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004000
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.8968   12.1319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968   10.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844   10.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    8.6319    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    8.5013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    7.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    6.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.4252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092   10.0319    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
 22  4  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004000-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   -0.8646    1.5162   -3.1945 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.8002   -2.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596    1.2547   -0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0221    0.5127    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455   -0.6818    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -1.1524   -0.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087   -2.4347   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9866   -2.1074   -0.0861 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956   -3.6926   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552   -4.8393   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0235   -5.8360   -0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1852   -5.2261   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482   -5.7515   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042   -7.1135   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1198   -7.5948   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2033   -6.7440   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4604   -7.2334   -0.2163 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4561   -6.3383   -0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2122   -4.9957   -0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9606   -4.4879   -0.6044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9546   -5.3646   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6455   -4.8993   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -3.8657   -0.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5469   -0.3875   -1.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951    2.1838   -1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5675    0.8639    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -1.2427    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941   -3.1278   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3563   -2.9186   -1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9867   -7.8162    0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3091   -8.6572    0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4654   -6.7345   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0153   -4.2831   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4919   -3.8315   -0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1371   -0.7004   -2.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$