Structure Information
Structure

Compound Identification

SMILES

CC(NC(=O)C1=NN2C(N=C(C=C2C(F)(F)F)C2=CC=CC=C2)=C1Br)C1CC2CCC1C2

InChIKey

InChIKey=QBPYGYQMAALKQO-UHFFFAOYSA-N

Formula

C23H22BrF3N4O

Mass

507.355

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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 - Aromatic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazole-5-carboxamide - 2-heteroaryl carboxamide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrazole - Vinylogous halide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Alkyl halide - Organobromide - Organofluoride - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - 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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