| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N |
| InChI | InChI | 1.03 | InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZTNYOEGLXUSDRB-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCC[C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | N[CH]1CCC[CH]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3CCCC3N)N |
