| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccnn1c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H18N8O/c30-21(28-19-8-10-25-29(19)18-3-1-2-9-24-18)20-17(26-15-11-22-13-23-12-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30) |
| InChIKey | InChI | 1.03 | ICLOLUJQHKQENN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccnn1c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccnn1c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
