Structure Information
Structure

Compound Identification

SMILES

ClCCOC(=O)NC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1

InChIKey

InChIKey=VKZUQVWQCBSVAE-UHFFFAOYSA-N

Formula

C20H15ClN4O3S

Mass

426.88

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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 - Phenylcarbamic acid ester - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Thiophene - Carbamic acid ester - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organic oxide - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - Organic nitrogen compound - Carbonyl group - 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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