| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1ncnc2[NH]ccc21)N1CCCCCC1C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C14H16N4O3/c19-13(11-9-5-6-15-12(9)17-8-16-11)18-7-3-1-2-4-10(18)14(20)21/h5-6,8,10H,1-4,7H2,(H,20,21)(H,15,16,17) |
| InChIKey | InChI | 1.06 | PXMHLYZQWQKBGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCCCN1C(=O)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCCCN1C(=O)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)C(=O)N3CCCCC[C@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)C(=O)N3CCCCCC3C(=O)O |
