| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(c1cccc(c1)S(NC)(=O)=O)c2ncnc3c2ncn3 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | ONVDHHGLDDAZRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2 |
