Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)CSc3nc(N)cc(n3)N |
InChI | InChI | 1.03 | InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24) |
InChIKey | InChI | 1.03 | KKVXVGPJAGIJNR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1OCCF)c2sc(C)c(CSc3nc(N)cc(N)n3)n2 |
SMILES | CACTVS | 3.370 | COc1ccc(cc1OCCF)c2sc(C)c(CSc3nc(N)cc(N)n3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N |