Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(NC(CC3=CC=C(Br)C=C3)=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=SQLJOUDKUVHUCF-UHFFFAOYSA-N

Formula

C14H13BrN4O2

Mass

349.188

Export to:

JSON SDF CSV

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 - Pyrimidone - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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

Previous Back Next