Structure Information
Structure

Compound Identification

SMILES

CC(SC1=NC2=CC=CC=C2C(=O)N1C1=CC(Cl)=C(F)C=C1)C(=O)NC1CCCC1

InChIKey

InChIKey=WEBXTEFBPCMWIC-UHFFFAOYSA-N

Formula

C22H21ClFN3O2S

Mass

445.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Quinazolines

Alternative Parents

Pyrimidones Alkylarylthioethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinazoline - Aryl thioether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.

External Descriptors

Not available

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