Structure Information
Structure

Compound Identification

SMILES

O=C1NC2C(NC(=O)NC2=O)N1S(=O)(=O)C1=CC=CC2=C1N=CC=C2

InChIKey

InChIKey=VCJZEMXIMAZRBF-UHFFFAOYSA-N

Formula

C14H11N5O5S

Mass

361.33

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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 - Alpha-amino acid or derivatives - Purinone - Quinoline - Alkaloid or derivatives - N-acyl urea - Pyrimidone - Sulfonylurea - Ureide - Benzenoid - 1,3-diazinane - Imidazolidinone - Pyridine - Pyrimidine - Heteroaromatic compound - Dicarboximide - Imidazolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen 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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