| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1COCCN1CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H19N5O3S/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-8-5-18-3-6-21-7-4-18/h3-8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | ZLIJABXMFRYUIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCOCC3 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C |
