| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1c(nc2N=C(N)NC(=O)c12)\C=C\c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+ |
| InChIKey | InChI | 1.03 | WPTUPLITBGLORN-VOTSOKGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c(\C=C\c3ccccc3)c(C#N)c2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c(C=Cc3ccccc3)c(C#N)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C=Cc2c(c3c([nH]2)N=C(NC3=O)N)C#N |
