| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c2c1ccccc1nc2)Nc3ccc(\C(=N\NC(=[N@H])N)C)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=N\NC(N)=N)/c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 |
| SMILES | CACTVS | 3.370 | CC(=NNC(N)=N)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N6O/c1-11(23-24-18(19)20)12-6-8-13(9-7-12)22-17(25)15-10-21-16-5-3-2-4-14(15)16/h2-10,21H,1H3,(H,22,25)(H4,19,20,24)/b23-11+ |
| InChIKey | InChI | 1.03 | BTFCNWPQBVODIL-FOKLQQMPSA-N |
