Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C |
InChI | InChI | 1.03 | InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | DTEKTGDVSARYDS-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1[C@@H](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 |
SMILES | CACTVS | 3.385 | CC(C)CCN1[CH](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C |