Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1NC1=NC2=C(N1)C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=BHJBHTAELWJRIV-UHFFFAOYSA-N

Formula

C15H15N5O4

Mass

329.316

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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 - Benzoate ester - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Aminoimidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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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