Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=NC(=CN=C1)C1=C(CCC1)C1=C(OCC2=C(F)C=C(Br)C=C2)C=CC(Cl)=C1

InChIKey

InChIKey=SHYDAPXDTLUWAG-UHFFFAOYSA-N

Formula

C23H17BrClFN2O3

Mass

503.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrazines

Intermediate Tree Nodes

Pyrazine carboxylic acids and derivatives

Direct Parent

Pyrazine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrazine carboxylic acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.

External Descriptors

Not available

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