Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=CN=C(SCC(=O)NC(CC2=CC(Cl)=C(Cl)C=C2)C2CCCNC2)N=C1

InChIKey

InChIKey=KHEBANFGJGWKLK-UHFFFAOYSA-N

Formula

C27H30Cl2N4O3S

Mass

561.52

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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

5-phenylpyrimidine - Amphetamine or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - 1,2-dichlorobenzene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aralkylamine - Piperidine - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Secondary amine - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Thioether - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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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