| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N)c3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10N6O/c15-5-9-10-12(16)19-14(17)20-13(10)18-11(9)8-3-1-2-7(4-8)6-21/h1-4,6H,(H5,16,17,18,19,20) |
| InChIKey | InChI | 1.03 | GUABVUFADFGUJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C#N)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C#N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O |
