Structure Information
Structure

Compound Identification

SMILES

CC(C)(N)CO.CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=ATOTUUBRFJHZQG-UHFFFAOYSA-N

Formula

C11H18BrN5O3

Mass

348.201

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

Not available

Substituents

Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - 1,2-aminoalcohol - Lactam - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Primary alcohol - Organic nitrogen compound - Primary amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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