Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(OCCCC(F)(F)F)nc(O)c2c(c(c1ncn(C)c1)ncc2)n3 |
InChI | InChI | 1.03 | InChI=1S/C15H14F3N5O2/c1-23-7-10(20-8-23)12-11-9(3-5-19-12)13(24)22-14(21-11)25-6-2-4-15(16,17)18/h3,5,7-8H,2,4,6H2,1H3,(H,21,22,24) |
InChIKey | InChI | 1.03 | GVIVKUKLHYWHES-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c1)c2nccc3c(O)nc(OCCCC(F)(F)F)nc23 |
SMILES | CACTVS | 3.385 | Cn1cnc(c1)c2nccc3c(O)nc(OCCCC(F)(F)F)nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.4 | Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O |