Structure Information
Structure

Compound Identification

SMILES

CN1C(Br)=NC2=C1C(=O)N(CC(O)COC1=CC=CC=C1)C(=O)N2C

InChIKey

InChIKey=MDXIJBWZPIMJKL-UHFFFAOYSA-N

Formula

C16H17BrN4O4

Mass

409.24

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