Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cnc(nc1)C(Nc2nc(nc(n2)Nc3ncn(c3)C)N4CCOCC4)C |
InChI | InChI | 1.03 | InChI=1S/C17H21FN10O/c1-11(14-19-7-12(18)8-20-14)22-15-24-16(23-13-9-27(2)10-21-13)26-17(25-15)28-3-5-29-6-4-28/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | TYCLYNVNWNBCRU-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1nc(Nc2cn(C)cn2)nc(n1)N3CCOCC3)c4ncc(F)cn4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1nc(Nc2cn(C)cn2)nc(n1)N3CCOCC3)c4ncc(F)cn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C |