Structure Information
Structure

Compound Identification

SMILES

CCC(N(CCN)C(=O)C1=CC=C(Br)C=C1)C1=NC=C(C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1

InChIKey

InChIKey=TWXXXKMJYULSBU-UHFFFAOYSA-N

Formula

C29H29BrN4O2

Mass

545.481

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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 heteromonocyclic compounds

Substituents

5-phenylpyrimidine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organohalogen compound - Primary aliphatic amine - Aromatic heteromonocyclic 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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