Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=NC2=C(C=NN12)C#CC1=CC=C(C=C1)S(N)(=O)=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=QZYUUONTPRRYBG-UHFFFAOYSA-N

Formula

C21H15ClN4O2S

Mass

422.89

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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 - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen 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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