Molecule Editor

Molecule ID: FYI-1015488 Edit

Molecule Structure InChIKey: OSTSLIQLQWBERA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015488
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  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
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015488-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    1.3764    8.2579    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8834    8.1022    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    6.7627    0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523    6.5911    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0913    5.2477    1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6004    5.0844    1.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9649    3.7608    2.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    3.5619    2.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1225    4.6434    3.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718    4.4929    3.2080 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2798    4.6609    1.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0492    6.0036    1.2336 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0788    6.9411    2.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8736    8.3836    1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    9.2239    2.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3494    8.5905    0.4752 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9945    9.8528   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4119   11.0582    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9768   12.2889    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169   12.3350   -1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262   11.1419   -1.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8774   11.1491   -2.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1689    9.9063   -1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3428    6.6274    3.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1121    5.4824    4.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    9.2194   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    8.2148    1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    7.4624   -0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2926    8.9230    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    8.1751   -0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    5.9455    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894    6.6940    1.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734    7.4050    1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122    6.6545   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    4.4314    0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314    5.1846    2.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0036    5.9239    2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0572    5.1298    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5367    2.9314    1.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5238    3.7114    3.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8540    3.5202    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6881    2.5963    2.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876    4.6466    4.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250    3.5044    3.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    3.9004    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3604    4.5080    1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040    7.7515   -0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0957   11.0793    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3067   13.2056    0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7677   13.2978   -1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062   12.0652   -2.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255    9.0016   -1.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7659    7.4584    4.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 24 53  1  0  0  0  0
M  END
$$$$