Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C1=NC=[N+](CC(=O)C2=CC3=CC=CC=C3C=C2)C=C1

InChIKey

InChIKey=XMYKLLSKFYSFAK-UHFFFAOYSA-N

Formula

C22H16BrN2O

Mass

404.286

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Naphthalene - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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