Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)c4nc(O)c(O)cc4c3ccc(c2nnnn2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24) |
InChIKey | InChI | 1.03 | WACGMDCXKWKGHR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(c2ccc(cc2)c3[nH]nnn3)c(nc1O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | Oc1cc(c2ccc(cc2)c3[nH]nnn3)c(nc1O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4 |