Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F |
SMILES | CACTVS | 3.370 | Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C15H15ClF3N3O/c1-9-8-11(22-14(20)21-9)13-10(16)4-2-5-12(13)23-7-3-6-15(17,18)19/h2,4-5,8H,3,6-7H2,1H3,(H2,20,21,22) |
InChIKey | InChI | 1.03 | SHQYMCWXQPPEMC-UHFFFAOYSA-N |