Structure Information
Structure

Compound Identification

SMILES

COCCN1C2=C(NC(=N2)C(CC=C)C2=CC=C(NC(C)=O)C=C2)C(=O)NC1=O

InChIKey

InChIKey=XSQUEQHWPUXKAD-UHFFFAOYSA-N

Formula

C20H23N5O4

Mass

397.435

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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 - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - N-arylamide - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Acetamide - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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