| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4c(Nc3nc1ncnc1c(OCC2CCCCC2)n3)ccc(c4)S(=O)(CC)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25) |
| InChIKey | InChI | 1.03 | SIKZOJIFMBUYSK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 |
