Structure Information
Structure

Compound Identification

SMILES

CNC(=S)N1CCC[C@@H]1C1=NN(CC2=CC=CC=N2)C2=C1C(=O)CC(C)(C)C2

InChIKey

InChIKey=JZEKZDUXVVWIBM-OAHLLOKOSA-N

Formula

C21H27N5OS

Mass

397.54

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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

Direct Parent

Aryl alkyl ketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl alkyl ketone - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Tertiary amine - Thiourea - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

External Descriptors

Not available

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