Structure Information
Structure

Compound Identification

SMILES

COCCC(=O)NC1=CC=C(C=C1)C1=C(C#N)C(=O)N=C(NC2=CC=C(Cl)C=C2)N1

InChIKey

InChIKey=OMQFIRADRALJEL-UHFFFAOYSA-N

Formula

C21H18ClN5O3

Mass

423.86

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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 - Anilide - N-arylamide - Aniline or substituted anilines - Halobenzene - Pyrimidone - Chlorobenzene - Aminopyrimidine - Aryl chloride - Benzenoid - Hydropyrimidine - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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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