Structure Information
Structure

Compound Identification

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)\C=C\C1=CC=C(S1)C1=NC2=C(N1)C(=O)N(CC1CCCCC1)C(=O)N2CC1CCCCC1

InChIKey

InChIKey=KVGIZPSKZBDHCZ-FYWRMAATSA-N

Formula

C45H70N4O13S

Mass

907.13

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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 - Fatty acid ester - Pyrimidone - 2,5-disubstituted thiophene - Fatty acyl - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Heteroaromatic compound - Thiophene - Imidazole - Urea - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen 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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