| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) |
| InChIKey | InChI | 1.03 | MQQNFDZXWVTQEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N |
| SMILES | CACTVS | 3.385 | NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc2cc(ccc2c1)OC(=O)c3ccc(cc3)N/C(=N/[H])/N)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N |
