Structure Information
Structure

Compound Identification

SMILES

CC(C)N1C(SCCOC2=CC=C(C=C2)C(O)=O)=NC2=C1C(=O)NC(=O)N2C

InChIKey

InChIKey=QSTRGNQZENXMRJ-UHFFFAOYSA-N

Formula

C18H20N4O5S

Mass

404.44

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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 - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Benzoyl - Alkylarylthioether - Pyrimidone - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - Urea - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur 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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