Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | FVRDYQYEVDDKCR-DBRKOABJSA-N |