Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C1=CN2CCN(C(CN3CN(C)C=C3)C2=N1)C(=O)C(N)CS

InChIKey

InChIKey=GNNQIKKVAZNITR-UHFFFAOYSA-N

Formula

C21H28N6O2S

Mass

428.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid amides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid amide - 5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Imidazole - 4-imidazoline - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Alkylthiol - Enamine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.

External Descriptors

Not available

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