| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)(=O)=O)C(NC)=O)ccccn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) |
| InChIKey | InChI | 1.03 | KUHISBZXQSKCLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1nnc(Nc2ccccn2)cc1Nc3ccccc3[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)c1nnc(Nc2ccccn2)cc1Nc3ccccc3[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C |
