Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C2=NN3C(N=C(C=C3C(F)(F)F)C3=CC=C(Br)C=C3)=C2Cl)SC2=C1CCCC2

InChIKey

InChIKey=UGMNTGKLPVLZDC-UHFFFAOYSA-N

Formula

C24H17BrClF3N4O3S

Mass

613.83

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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 - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Vinylogous halide - Methyl ester - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - 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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