Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O

InChIKey

InChIKey=RGEBGDYYHAFODH-DHMAKVBVSA-M

Formula

C22H27FN3NaO6S

Mass

503.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Hydroxy fatty acid - Halobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Unsaturated fatty acid - Aryl fluoride - Aryl halide - Hydroxy acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic zwitterion - Organic salt - Organic sodium salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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