Structure Information
Structure

Compound Identification

SMILES

CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

InChIKey

InChIKey=SGMIFRQEJVLGKF-UHFFFAOYSA-N

Formula

C21H28N4O4

Mass

400.479

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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

Not available

Substituents

2-phenylpropanoic-acid - Xanthine - 6-oxopurine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Purinone - Phenylpropane - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - 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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