| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(ccc(c1)N)c(nc2c3ccccc3)NC4CC4 |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4/c18-12-6-9-14-15(10-12)20-16(11-4-2-1-3-5-11)21-17(14)19-13-7-8-13/h1-6,9-10,13H,7-8,18H2,(H,19,20,21) |
| InChIKey | InChI | 1.03 | WCANXWUISJCJOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc2c(NC3CC3)nc(nc2c1)c4ccccc4 |
| SMILES | CACTVS | 3.370 | Nc1ccc2c(NC3CC3)nc(nc2c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N |
