| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | DYIRSNMPIZZNBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3occc3)n4cnnc24 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3occc3)n4cnnc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4 |
