Structure Information
Structure

Compound Identification

SMILES

CC(O)CSC1=NC2=C(N1CCCC1=CC=CC=C1)C(=O)NC(=O)N2C

InChIKey

InChIKey=SULHMUQQEJHMIO-UHFFFAOYSA-N

Formula

C18H22N4O3S

Mass

374.46

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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 - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Sulfenyl compound - Azacycle - Thioether - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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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