| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1cccc2nccnc12)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4/c1-24-14-18(15-6-3-2-4-7-15)23-19(24)11-10-16-8-5-9-17-20(16)22-13-12-21-17/h2-9,12-14H,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | LGRCDJCDDQBUGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2cccc3nccnc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2cccc3nccnc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1CCc2cccc3c2nccn3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1CCc2cccc3c2nccn3)c4ccccc4 |
