| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(C)C)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H18FN5O2S/c1-20(2)24(22,23)21-8-11(9-21)14-13(7-18-15(17)19-14)10-3-5-12(16)6-4-10/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | XRIFZYNLQSZNGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F |
