Structure Information
Structure

Compound Identification

SMILES

COCCNC1=NC=CC(=N1)C1=C(NC(N1)=C1C(Cl)=CC(=O)C=C1Cl)C1=CC(Br)=CC=C1

InChIKey

InChIKey=HQLWFAXRUNMDRV-UHFFFAOYSA-N

Formula

C22H18BrCl2N5O2

Mass

535.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

P-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-quinomethane - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - 4-imidazoline - Vinylogous halide - Ketene acetal or derivatives - Azacycle - Chloroalkene - Dialkyl ether - Enamine - Ether - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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