Molecule Editor

Molecule ID: FYI-1015275 Edit

Molecule Structure InChIKey: SVRXZMPDBNOCBH-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(Nc2nc1ccccc1n3cnnc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015275
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    4.8528    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.8057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    3.0449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196    4.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    4.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    0.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    2.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7118    0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7058    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
  7  9  2  0  0  0  0
  6  8  2  0  0  0  0
 16 17  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015275-3D
FYIcenter.com

 31 34  0     0  0  0  0  0  0999 V2000
   -2.1390    1.0907    0.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -0.6979   -0.4001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244    1.0165   -0.4696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    2.8085    0.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0612    3.2625    0.3246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.2612    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477    1.5034   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4015   -1.1397   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    0.5804   -0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835   -0.7139    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8645    2.2181    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812   -2.5051   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    0.3366   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0341   -2.0811    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9892   -2.9729   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    0.5772   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373   -0.6017    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0539   -0.1040   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163   -1.2828    1.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0746   -1.0338    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6086   -0.0378    0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    1.9831   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9317    2.2394    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8827   -3.2162   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0466   -2.4563    0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -4.0370   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8739    1.2988   -1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575   -0.8030    1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9559    0.0898   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341   -2.0034    1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -1.5633    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$