Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CN=C(SC)N(CC(=O)NC2=CC(Cl)=C(C)C=C2)C1=O

InChIKey

InChIKey=BTQMWGLGWPYMJZ-UHFFFAOYSA-N

Formula

C17H18ClN3O4S

Mass

395.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Anilide - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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