Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=C1)C1=NC=C(N)C(=O)N1CC(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC=CS1

InChIKey

InChIKey=WNJLVFWJWNGWKN-INIZCTEOSA-N

Formula

C22H26N8O3S

Mass

482.56

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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 heteromonocyclic compounds

Substituents

Aryl alkyl ketone - Aminopyrimidine - Toluene - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Guanidine - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic 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

CHEBI:40238 : aminopyrimidine - guanidines - pyrimidone - 1,3-thiazole

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