| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c3c(OC1CCCC1O)nc(OC2CCCC2)nc3N)N |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4O4/c16-12-11(13(17)21)14(23-10-7-3-6-9(10)20)19-15(18-12)22-8-4-1-2-5-8/h8-10,20H,1-7H2,(H2,17,21)(H2,16,18,19)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | GOYBCUMANOWCAY-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@@H]3CCC[C@@H]3O |
| SMILES | CACTVS | 3.370 | NC(=O)c1c(N)nc(OC2CCCC2)nc1O[CH]3CCC[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(C1)Oc2nc(c(c(n2)OC3CCCC3O)C(=O)N)N |
