| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H17N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-10,12-13H,11H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | ZCKREKXDGMDDHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4c3cco4)n5c2nnc5 |
