| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5ccccc35)cnc2n1 |
| SMILES | CACTVS | 3.341 | Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5ccccc35)cnc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27) |
| InChIKey | InChI | 1.03 | NXCCIJQEAKMFGW-UHFFFAOYSA-N |
