Structure Information
Structure

Compound Identification

SMILES

Cl.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.CC(C(O)C1=CC=CC=C1)N(C)CC=CC1=CC=CC=C1

InChIKey

InChIKey=GXVYKGFDXIZMAF-UHFFFAOYSA-N

Formula

C46H55ClN6O9

Mass

871.43

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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 - Purinone - Acetanilide - 6-oxopurine - N-acetylarylamine - Alkaloid or derivatives - Anilide - Phenylpropane - Phenoxy compound - N-arylamide - Styrene - Phenol ether - Aralkylamine - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - N-substituted imidazole - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Vinylogous amide - Imidazole - Azole - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Carboxamide group - 1,2-aminoalcohol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Organic salt - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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