Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(nc(n1)N1CCC1CO)c1cn(nc1)C1CCNCC1 |
InChI | InChI | 1.06 | InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1 |
InChIKey | InChI | 1.06 | KXGFTHNEKPQMOG-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)C4CCNCC4 |
SMILES | CACTVS | 3.385 | OC[CH]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)C4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc(nc1C(F)(F)F)N2CC[C@@H]2CO)c3cnn(c3)C4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc(nc1C(F)(F)F)N2CCC2CO)c3cnn(c3)C4CCNCC4 |