Molecule Editor

Molecule ID: FYI-1016075 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-1016075
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-1016075-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.2032   -0.5127   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.5436   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    0.2212   -1.4540 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    0.2046   -1.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    1.0179   -2.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    1.1172   -2.7060 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3170    2.2141   -2.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030    1.7174   -2.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8080    2.5592   -2.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6824    3.8346   -1.8580 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8943    4.4607   -2.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0762    5.8496   -2.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    6.3463   -2.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3434    5.5196   -2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5448    5.9465   -3.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7264    7.3599   -3.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2572    4.1468   -2.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9804    3.6261   -2.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4243    1.9906   -2.2718 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5886    0.3786   -2.7358 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3129    0.0096   -2.9000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -1.0894    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -0.9238   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369    0.5153   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699   -1.5767   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -0.1150    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9886   -0.8311   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0279    0.6310   -0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    2.0379   -2.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    0.5823   -3.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    3.1995   -2.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682    6.5132   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2315    7.3865   -2.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9773    7.8400   -4.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7016    7.5571   -3.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7201    7.7954   -2.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1212    3.4984   -2.6833 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
$$$$