Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C1SC(C)C(=O)N1NC1=NC(C2=CC=C(Cl)C=C2)=C(C#N)C(=O)N1C

InChIKey

InChIKey=OQIJIMJUHJKKPE-UHFFFAOYSA-N

Formula

C23H20ClN5O4S

Mass

497.95

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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 - Methoxyphenol - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Halobenzene - Chlorobenzene - Hydropyrimidine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidine - Heteroaromatic compound - Lactam - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Dialkylthioether - Ether - Thioether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Carbonyl group - Organohalogen 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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