| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17) |
| InChIKey | InChI | 1.03 | IPBSEFPXJIGJOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3nc(N)ncc3C2 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3nc(N)ncc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3)N)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3)N)C2 |
