Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CN=C(SCC2=CC(Cl)=C(Cl)C=C2)N=C1N1CC1C

InChIKey

InChIKey=GXAQTHYNNMZNRI-UHFFFAOYSA-N

Formula

C17H17Cl2N3O2S

Mass

398.3

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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

Pyrimidine-5-carboxylic acid - 1,2-dichlorobenzene - Aryl thioether - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Azacycle - Aziridine - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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