Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(Br)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(Br)=C1

InChIKey

InChIKey=ZZCZJGBEYAACSA-UHFFFAOYSA-N

Formula

C20H17Br2N5

Mass

487.199

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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