Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=C2CN(C(=O)C2=N1)C1=CC=C(Br)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=ARSAHTBHQNWBAF-UHFFFAOYSA-N

Formula

C18H13BrN4O

Mass

381.233

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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

5-phenylpyrimidine - 4-phenylpyrimidine - 2-heteroaryl carboxamide - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - 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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