| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29) |
| InChIKey | InChI | 1.06 | LQFDMFLOSFCOEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5 |
