Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(N)C2=C(N=C(NCCC3=CC=CC=C3)N=C2S1)C1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=JXRZJUZBLQBHME-UHFFFAOYSA-N

Formula

C22H18Cl2N4OS

Mass

457.37

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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 - Thienopyrimidine - 1,2-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Ketone - Azacycle - Secondary amine - Organic oxide - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - 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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