Structure Information
Structure

Compound Identification

SMILES

Cl.C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCO)SCCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=VKPDNQYVPBUXHS-CRDKNBMZSA-N

Formula

C21H27ClN4O3S

Mass

450.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioenolether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Hydrochloride - Primary amine - Primary alcohol - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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