Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N=C(C)N=C1C(=O)N1CCN(C(C)C1)C(=O)NC1=CC=CC=C1Br)C1=CC=CC=C1

InChIKey

InChIKey=PGPLSFXEEBJCRO-UHFFFAOYSA-N

Formula

C27H28BrN5O4

Mass

566.456

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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

4-phenylpyrimidine - N-phenylurea - Piperazine-1-carboxamide - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Urea - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - 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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