Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCOC(=O)CCC(O)=O)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=KLOSUGLVLHBUOH-UHFFFAOYSA-N

Formula

C13H16N4O6

Mass

324.293

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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 - Pyrimidone - Fatty acid ester - Fatty acyl - Pyrimidine - Dicarboxylic acid or derivatives - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen 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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