Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(cc(N)nc1)C(F)F)c3nc(nc(N2CCOCC2C)n3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | SYKBZXMKAPICSO-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4CCOCC4 |
SMILES | CACTVS | 3.385 | C[CH]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N |