| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nccc(c1)C(=O)Nc2c(OC)ccnc2)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O3/c1-23-13-5-6-17-9-12(13)19-16(22)11-4-7-18-14(8-11)20-15(21)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,22)(H,18,20,21) |
| InChIKey | InChI | 1.03 | NZMAVPMPPORZNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccncc1NC(=O)c2ccnc(NC(=O)C3CC3)c2 |
| SMILES | CACTVS | 3.385 | COc1ccncc1NC(=O)c2ccnc(NC(=O)C3CC3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3 |
