Structure Information
Structure

Compound Identification

SMILES

[Br-].COC1=CC(=CC(OC)=C1OC)C(=O)NC1=CC=[N+](CCCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1

InChIKey

InChIKey=IXUVWKLJGANFMD-UHFFFAOYSA-N

Formula

C26H31BrN6O6

Mass

603.474

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 - Benzoic acid or derivatives - Alkaloid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Benzenoid - Pyrimidine - Pyridinium - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Carboxamide group - Urea - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic salt - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic cation - 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