Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC3=CC=C(C=C3)C(C3CCCC3)C(=O)N[C@@H](CO)C3=CC=CC=C3)C(Br)=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=OBLBYXPITXOIAS-NQCNTLBGSA-N

Formula

C29H32BrN5O4

Mass

594.51

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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 - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Purinone - Phenylacetamide - Alkaloid or derivatives - Pyrimidone - Benzenoid - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Secondary carboxylic acid amide - Urea - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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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