| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | CUWFEJVIZZQNCM-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)n2cccn2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C(=O)NC(c1ccc(cc1)n2cccn2)C(=O)NO |
