Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCN1C(SCC2=CC=CC=C2)=NC2=C1C(=O)NC(=O)N2C

InChIKey

InChIKey=YKIHGVDBCPLPKT-UHFFFAOYSA-N

Formula

C21H28N4O2S

Mass

400.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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