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W7G

Summary
Name:5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C14 H14 N2 O5
Formal charge:0
Formula weight:290.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
OpenEye OEToolkits1.7.65-[2-(2-methoxyphenyl)ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2OC
InChIInChI1.03InChI=1S/C14H14N2O5/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyInChI1.03JZYBTHRIIGVDDH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O
SMILESCACTVS3.370COc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O
SMILESOpenEye OEToolkits1.7.6COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O

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PDB entries from 2024-11-06

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