Structure Information
Structure

Compound Identification

SMILES

COCCN1C=NC2=C1C(=O)N(CC(=O)NC1=CC=C(C=C1)N(C)C)C(=O)N2CC1=CC=CC=C1

InChIKey

InChIKey=ALKRFNNDTFRXBB-UHFFFAOYSA-N

Formula

C25H28N6O4

Mass

476.537

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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 - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Urea - Carboxamide group - Tertiary amine - Lactam - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - 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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