Structure Information
Structure

Compound Identification

SMILES

OC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO.CN1C=NC2=C1N(C)C(=O)N(C)C2=O

InChIKey

InChIKey=LBKBEXBYNHFFAG-ZDLCXPMKSA-N

Formula

C14H22N4O8

Mass

374.35

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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

Not available

Substituents

Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Acyloin - N-substituted imidazole - Monosaccharide - Beta-hydroxy ketone - Pyrimidine - Alpha-hydroxy ketone - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Urea - Secondary alcohol - Azacycle - Polyol - Organic oxygen compound - Primary alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen 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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