Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H13ClF2N6O/c1-7(9-4-8(2-3-19-9)24-5-10(16)17)23-6-20-11-12(18)21-14(15)22-13(11)23/h2-4,6-7,10H,5H2,1H3,(H2,18,21,22)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | MMMUNMQNRGXDNZ-ZETCQYMHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3 |
SMILES | CACTVS | 3.385 | C[CH](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl |