| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)Cn2ncc(c2)NC(=O)c3c4ccccc4nn3 |
| InChI | InChI | 1.03 | InChI=1S/C19H14N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,23,24) |
| InChIKey | InChI | 1.03 | QOSKBOUKENYWAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c3[nH]nc4ccccc34 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c3[nH]nc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N |
