| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21) |
| InChIKey | InChI | 1.06 | CEJLELZDXLZHDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2cc(cnc2N1)C(=O)N3CCCCCC3 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)c2cc(cnc2N1)C(=O)N3CCCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cnc2c1C(=O)NC(=O)N2)C(=O)N3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cnc2c1C(=O)NC(=O)N2)C(=O)N3CCCCCC3 |
