| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1 |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+ |
| InChIKey | InChI | 1.03 | WQNHXIPMGCIKNP-ZHACJKMWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(nc(\C=C\c2ccc3ccccc3n2)n1)N4CCCC4 |
| SMILES | CACTVS | 3.385 | Cc1cc(nc(C=Cc2ccc3ccccc3n2)n1)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)/C=C/c2ccc3ccccc3n2)N4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)C=Cc2ccc3ccccc3n2)N4CCCC4 |
