Structure Information
Structure

Compound Identification

SMILES

CNC(=O)CSC1=NC(=C2C(NC=C2C#N)=N1)C1=CC(O)=C(OC)C=C1Cl

InChIKey

InChIKey=HLCJZGRDNUBELV-UHFFFAOYSA-N

Formula

C17H14ClN5O3S

Mass

403.84

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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 - Methoxyphenol - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Anisole - 4-halophenol - 4-chlorophenol - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - 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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