8IZ
Summary
Name: | 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione |
Formula: | C10 H14 N2 O6 |
Formal charge: | 0 |
Formula weight: | 258.228 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1 |
InChIKey | InChI | 1.03 | UVBYMVOUBXYSFV-XUTVFYLZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O |
SMILES | CACTVS | 3.385 | CN1C=C([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |