Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15ClF2N6O/c20-19-26-17(23)16-18(27-19)28(10-25-16)8-11-5-13(12-1-3-24-4-2-12)7-14(6-11)29-9-15(21)22/h1-7,10,15H,8-9H2,(H2,23,26,27) |
InChIKey | InChI | 1.03 | WQJJOKCRYDFRJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(c3)c4ccncc4)cnc12 |
SMILES | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(c3)c4ccncc4)cnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc(cc(c2)OCC(F)F)Cn3cnc4c3nc(nc4N)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc(cc(c2)OCC(F)F)Cn3cnc4c3nc(nc4N)Cl |