Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(N)=O)C(SCCO)=N2)C(=O)NC1=O

InChIKey

InChIKey=ZGJCCAQZUNQFNJ-UHFFFAOYSA-N

Formula

C10H13N5O4S

Mass

299.31

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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 - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Carboxamide group - Primary carboxylic acid amide - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxygen compound - Carbonyl group - Alcohol - 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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