| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc2nnc(c1ccccc1)c2)Nc3ncc(C#N)nc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23) |
| InChIKey | InChI | 1.03 | CUGADHZZTWSNMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1cc([nH]n1)c2ccccc2)Nc3cnc(cn3)C#N |
| SMILES | CACTVS | 3.370 | O=C(Nc1cc([nH]n1)c2ccccc2)Nc3cnc(cn3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N |
