| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19) |
| InChIKey | InChI | 1.03 | QHMKXYXSZRKDAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O |
