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Summary

Name:1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione
Synonyms:1-D-glucopyranosyl-thymine
Formula:C11 H16 N2 O7
Formal charge:0
Molecular weight:288.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.05-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C(O)C2O)CO
SMILES_CANONICALCACTVS3.341CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC1=O
SMILESCACTVS3.341CC1=CN([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1
InChIKeyInChI1.03RMXUFBPORJBBEZ-HPFNVAMJSA-N