| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC4CCCC4)ncnc23 |
| SMILES | CACTVS | 3.352 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NC4CCCC4)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)NC4CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | SQMWSBKSHWARHU-SDBHATRESA-N |
