| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)c4cscc4 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O4S/c19-3-8-11(20)12(21)14(22-8)18-6-17-10-9(7-1-2-23-4-7)15-5-16-13(10)18/h1-2,4-6,8,11-12,14,19-21H,3H2/t8-,11-,12-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | UXKNTUXJYSDVTH-LHNIVKCTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c2ncnc3c4cscc4 |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c2ncnc3c4cscc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cscc1c2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O |
