Molecule Editor

Molecule ID: FYI-1016745 Edit

Molecule Structure InChIKey: XGYIMTFOTBMPFP-KQYNXXCUSA-N

Molecule Structure SMILES String: C[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016745
FYIcenter.com

 18 20  0  0  1  0  0  0  0  0999 V2000
    9.4478    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2354    3.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    4.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0196    3.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    0.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    2.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1295    1.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9273    4.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    4.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  1  0  0  0
  4  9  1  6  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
 14 13  1  0  0  0  0
 15 13  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  9  1  0  0  0  0
 18 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016745-3D
FYIcenter.com

 31 33  0     1  0  0  0  0  0999 V2000
    2.1208   -0.8314   -1.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    1.9042    1.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    1.6393   -0.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455   -0.3925   -0.1795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231   -1.8990    0.2892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    1.5808   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7938    1.0643   -0.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5641   -1.1349    0.4006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    0.6009    0.8403 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2840    0.1632   -0.4215 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4600    0.5060    0.4015 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4510   -0.7373   -0.4823 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7379   -2.0170    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353    0.2797   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -1.6979    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995   -0.6713    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -0.2382    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473    1.8808   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191   -0.0881    1.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.9860   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    0.4705    1.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537   -0.6508   -1.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -2.8844   -0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7393   -1.9956    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -2.1772    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8616    2.5151    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -2.4561    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    1.5248   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020    2.9163   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634   -2.1074    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5164   -0.7961    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  1  0  0  0  0
  3 28  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  6 18  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$