Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(C(=O)N(C)C1=O)[N+](CC(=O)NC1=CC=CC=C1C#N)=CN2

InChIKey

InChIKey=CQVFBCMLOUFEIH-UHFFFAOYSA-O

Formula

C16H15N6O3

Mass

339.334

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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 - Anilide - Alkaloid or derivatives - Benzonitrile - N-arylamide - Pyrimidone - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - 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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