Molecule Editor

Molecule ID: FYI-1016074 Edit

Molecule Structure InChIKey: OLDJSKIDAVQGDM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCCn3cc(c2nc1ccc(OC)cc1s2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016074
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   15.7230    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5106    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2981    3.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0857    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8732    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6608    2.5039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    3.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4450    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1450    0.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144    1.1115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527    3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    3.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    3.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    1.1389    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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
 10  6  1  0  0  0  0
 11  8  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016074-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.6437    3.8856   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.3127   -1.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059    3.1462   -1.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    3.4543   -1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685    2.1473   -1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5031    2.3024   -1.6430 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.5421   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5662    2.3833   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7719    2.5472   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6369    2.6906    1.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7954    3.2264    1.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9085    3.7360    2.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9322    4.6475    3.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0152    4.7579    2.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0876    5.5910    2.5622 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    6.2156    3.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462    4.0122    1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8614    3.3564    0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3826    2.6551   -0.7206 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5380    2.1328   -2.3483 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    2.0963   -2.7302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213    4.7491   -1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    3.1953   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231    3.3507   -2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    4.8287   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    4.9885   -2.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627    3.9630   -0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5351    4.1246   -2.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7980    1.6335   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936    1.4665   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8587    2.7976    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1358    3.5502    3.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166    5.2830    4.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2719    6.8674    4.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0289    6.8510    3.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2242    5.4661    4.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9078    4.0455    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$