| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ncc(nc1)C#N)Nc2ncc3c(c2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22) |
| InChIKey | InChI | 1.03 | GFPBJOCJVKFSBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1cnc(cn1)C#N)Nc2cc3ccccc3cn2 |
| SMILES | CACTVS | 3.370 | O=C(Nc1cnc(cn1)C#N)Nc2cc3ccccc3cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N |
