Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1nc(sc1)C2OC(C(O)C2O)C)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O4S/c1-3-5(12)6(13)7(15-3)9-11-4(2-16-9)8(10)14/h2-3,5-7,12-13H,1H3,(H2,10,14)/t3-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | FQKJMVYTLPKRQR-SHUUEZRQSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2scc(n2)C(N)=O |
SMILES | CACTVS | 3.370 | C[CH]1O[CH]([CH](O)[CH]1O)c2scc(n2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(O1)c2nc(cs2)C(=O)N)O)O |