| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25) |
| InChIKey | InChI | 1.03 | ZHCAYBOLUMAUQX-UHFFFAOYSA-N |
