Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC=CC=CN1C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=CNC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1 |
InChIKey | InChI | 1.03 | MEPCJRCEYSZBDO-FNCVBFRFSA-N |