Structure Information
Structure

Compound Identification

SMILES

CN1C(NN2CCN(C)CC2)=NC2=C1C(=O)N(CC1=CC=C(Br)C=C1)C(=O)N2C

InChIKey

InChIKey=PGZPGTOFDIHHNT-UHFFFAOYSA-N

Formula

C19H24BrN7O2

Mass

462.352

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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 - Bromobenzene - Halobenzene - Pyrimidone - N-methylpiperazine - N-alkylpiperazine - N-substituted imidazole - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Pyrimidine - Aryl bromide - Aryl halide - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Alkylhydrazine - Hydrocarbon derivative - Hydrazine derivative - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen 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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