Structure Information
Structure

Compound Identification

SMILES

CN1C(OCC#C)=NC2=C1C(=O)N(CC1=CC=C(Br)C=C1)C(=O)N2C

InChIKey

InChIKey=BBQRYFRSDSQGEL-UHFFFAOYSA-N

Formula

C17H15BrN4O3

Mass

403.236

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