Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@@H]1N2NC(SCC3=CC=CC=C3Cl)=NC2=NC(C)=C1C(N)=O

InChIKey

InChIKey=UREGWSMHHZNRHR-SFHVURJKSA-N

Formula

C21H20ClN5O2S

Mass

441.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrimidinecarboxamide - Triazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Triazoline - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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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