Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(CN(C)C)COc1ccc(cc1)Nc2nccc(n2)c3c(nc4ccccn34)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C[C@H](O)COc1ccc(Nc2nccc(n2)c3n4ccccc4nc3C)cc1 |
SMILES | CACTVS | 3.341 | CN(C)C[CH](O)COc1ccc(Nc2nccc(n2)c3n4ccccc4nc3C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OCC(CN(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | VCPXSBULBDYRLT-SFHVURJKSA-N |