| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N2c4c(C(=CC2=NN1)C)ccc(c3ccncc3)c4 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4 |
| SMILES | CACTVS | 3.352 | CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21) |
| InChIKey | InChI | 1.03 | PKZCGWBROCHAKF-UHFFFAOYSA-N |
