| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) |
| InChIKey | InChI | 1.03 | PBKHWCKJJPVRRM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(Cc2ccccc2)C=Nc3ccc(cc13)c4c[nH]nc4 |
| SMILES | CACTVS | 3.385 | O=C1N(Cc2ccccc2)C=Nc3ccc(cc13)c4c[nH]nc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4 |
