| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1nc(nc(N)c1)SC(c2ncc3occc3c2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2 |
| SMILES | CACTVS | 3.341 | C[CH](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ATCRIOJPQXDFNY-ZETCQYMHSA-N |
