Structure Information
Structure

Compound Identification

SMILES

CC1OC(N2C=NC3=C2N(C)C(=O)N(C)C3=O)C(=O)C(Br)=C1

InChIKey

InChIKey=YRHNWQFYEBZVGE-UHFFFAOYSA-N

Formula

C13H13BrN4O4

Mass

369.175

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 - Dihydropyranone - Pyrimidone - N-substituted imidazole - Pyran - Pyrimidine - Heteroaromatic compound - Imidazole - Vinylogous amide - Alpha-haloketone - Azole - Cyclic ketone - Ketone - Lactam - Urea - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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

Previous Back Next