Structure Information
Structure

Compound Identification

SMILES

COC(=O)C=CCN1C(=O)N(C)C2=C(N(CC3=CC=CC=C3C#N)C(=N2)N2CCCC(N)C2)C1=O

InChIKey

InChIKey=JLFYPRCMYAGUCC-UHFFFAOYSA-N

Formula

C24H27N7O4

Mass

477.525

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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 - Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Fatty acid ester - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Fatty acyl - Piperidine - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Urea - Lactam - Amino acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary amine - Cyanide - 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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