Structure Information
Structure

Compound Identification

SMILES

CSC1=NC2C(NC(=O)NC2=O)=N1

InChIKey

InChIKey=VPOBRNPGPHKBLK-UHFFFAOYSA-N

Formula

C6H6N4O2S

Mass

198.2

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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

Aliphatic heteropolycyclic compounds

Substituents

Xanthine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Dicarboximide - Imidazole - Carbonic acid derivative - Urea - Sulfenyl compound - Carboximidamide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic 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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