Molecule Editor

Molecule ID: FYI-1014036 Edit

Molecule Structure InChIKey: ZNRCMZSIZFLKNY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4nc(Nc2nc1ccccc1o2)nc(c3ccccc3O)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014036
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   10.3779    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    6.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    4.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  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
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 16  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014036-3D
FYIcenter.com

 37 40  0     0  0  0  0  0  0999 V2000
    3.3169    1.4751    0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8834   -1.4292    1.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553    1.8752    0.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9719   -0.3469   -0.0905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239    0.5618   -0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0670    1.6403   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    2.9547    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1127    0.3666   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -0.7461   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9140   -0.7209   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    0.9639   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    0.5631   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904    1.7925   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5014    0.3219   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686   -2.0204   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048   -1.6776    0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597   -1.0028   -1.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3947    2.8012    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   -0.9568   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2685   -2.1061   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -2.9162    0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3963   -2.2415   -1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871   -3.1982   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123    4.0465    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320    2.8541    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094    1.2167    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602   -2.9175   -0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332   -0.2720   -1.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1489   -1.0601   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7423   -3.0836   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -3.6716    1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0541   -2.4614   -2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6826   -4.1626   -0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1639    3.9105   -0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    4.8807   -0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4194    4.3063    1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654   -2.2102    2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 37  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  2  0  0  0  0
  7 13  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 14 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 17 28  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 23  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  2  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$