Structure Information
Structure

Compound Identification

SMILES

CN(CC1=CC=CC=C1)C1=NC2=C(N1CC(O)COC1=CC=C(Br)C=C1)C(=O)NC(=O)N2C

InChIKey

InChIKey=MXYYWCNXBKZDAW-UHFFFAOYSA-N

Formula

C23H24BrN5O4

Mass

514.38

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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 - Alkaloid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Secondary alcohol - Lactam - Azacycle - Ether - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organobromide - 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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