Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C(=O)CSC1=NC=NC2=C1NC=N2

InChIKey

InChIKey=FJSCLTNZZSBMCX-UHFFFAOYSA-N

Formula

C13H9BrN4OS

Mass

349.21

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - 6-thiopurine - Imidazopyrimidine - Purine - Benzoyl - Aryl thioether - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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