Structure Information
Structure

Compound Identification

SMILES

O=C(N1C=NC2=C1NC(=O)NC2=O)C1=CC=NC=C1

InChIKey

InChIKey=OIPQLZAGGDVUCU-UHFFFAOYSA-N

Formula

C11H7N5O3

Mass

257.209

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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 - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - N-acylimidazole - Imidazole-1-carbonyl group - Pyrimidone - N-substituted imidazole - Pyridine - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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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