| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1 |
| SMILES | CACTVS | 3.341 | C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21) |
| InChIKey | InChI | 1.03 | JGWHILNNHLDARR-UHFFFAOYSA-N |
