Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H12ClF4N5O2/c16-14-23-12(21)11-13(24-14)25(6-22-11)4-7-1-8(26-5-10(17)18)3-9(2-7)27-15(19)20/h1-3,6,10,15H,4-5H2,(H2,21,23,24) |
InChIKey | InChI | 1.03 | DEFIIWXSKZHELC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(OC(F)F)c3)cnc12 |
SMILES | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(OC(F)F)c3)cnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1OCC(F)F)OC(F)F)Cn2cnc3c2nc(nc3N)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1OCC(F)F)OC(F)F)Cn2cnc3c2nc(nc3N)Cl |