Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5 |
InChI | InChI | 1.03 | InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) |
InChIKey | InChI | 1.03 | UZWDCWONPYILKI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(CC1)Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2 |
SMILES | CACTVS | 3.385 | CCN1CCN(CC1)Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F |
SMILES | OpenEye OEToolkits | 2.0.5 | CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F |