Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C2CC(C)(C)C\C(=N/OC(=O)C3=C(Cl)C=C(C=N3)C(F)(F)F)C2=C(SC)S1

InChIKey

InChIKey=DMJGAUMNMHACOH-RPPGKUMJSA-N

Formula

C20H18ClF3N2O4S2

Mass

506.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Pyridinecarboxylic acids and derivatives

Intermediate Tree Nodes

Pyridinecarboxylic acids - Pyridine-2-carboxylic acids

Direct Parent

5-alkyl-2-carboxypyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-alkyl-2-carboxypyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Vinylogous halide - Oximester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.

External Descriptors

Not available

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