Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(NC(C)=O)C=C1.CC(=O)OC1=CC=CC=C1C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=PITMOJXAHYPVLG-UHFFFAOYSA-N

Formula

C27H31N5O8

Mass

553.572

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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

Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Pyrimidone - Dicarboxylic acid or derivatives - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Acetamide - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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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