Structure Information
Structure

Compound Identification

SMILES

[K+].CCN1C2=C(NC(=N2)C2=CC(=CC=C2)S([O-])(=O)=O)C(=O)N(CC)C1=O

InChIKey

InChIKey=JRQZZGKGKVQWJR-UHFFFAOYSA-M

Formula

C15H15KN4O5S

Mass

402.47

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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 - 2-phenylimidazole - 6-oxopurine - Benzenesulfonate - Purinone - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkaloid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Organic sulfonic acid or derivatives - Vinylogous amide - Imidazole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Lactam - Urea - Azacycle - Organic alkali metal salt - Organic potassium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - 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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