Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=CC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | OGADSZTVCUXSOK-PEBGCTIMSA-N |