Molecule Editor

Molecule ID: FYI-1017646 Edit

Molecule Structure InChIKey: PJJJKQDSKZSCHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cc1ccccc1nc2c4nc3ccccc3cc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1017646
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 14 17  1  0  0  0  0
  9 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017646-3D
FYIcenter.com

 34 37  0     0  0  0  0  0  0999 V2000
   -0.3184   -2.2224   -1.4398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183    2.2223   -1.4398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    0.7206    0.3752 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5006   -0.7205    0.3753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7004   -0.1787   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    0.1788   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3801   -0.6941   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3801    0.6941   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225    0.4690    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -0.4690    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -1.3432   -0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    1.3431   -0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154   -1.5996   -0.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    1.5996   -0.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7646   -0.9247   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645    0.9247   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6820    1.3682    1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819   -1.3682    1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6007   -0.0086    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6007    0.0086    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0584    1.1392    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584   -1.1392    1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131   -2.5068   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.5068   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1996   -1.8200   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995    1.8200   -0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2818    2.2750    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817   -2.2750    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6699   -0.1901    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    0.1901    0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    1.8594    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035   -1.8594    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388   -2.9690   -1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    2.9689   -1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 33  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 27  1  0  0  0  0
 18 22  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$