| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Oc1cccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N4O4/c1-23-11-7-10(8-16-9-11)14(21)18-5-6-19-15(22)13-12(20)3-2-4-17-13/h2-4,7-9,20H,5-6H2,1H3,(H,18,21)(H,19,22) |
| InChIKey | InChI | 1.06 | YVVRFBXSKUTJJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O |
| SMILES | CACTVS | 3.385 | COc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O |
