Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1OC[C@@H](O)CN1C(SCC(=O)NC2=CC=CC=C2)=NC2=C1C(=O)NC(=O)N2C

InChIKey

InChIKey=BTMUJFCUNKNLJE-INIZCTEOSA-N

Formula

C24H25N5O6S

Mass

511.55

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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 - Anilide - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Aryl thioether - N-arylamide - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Benzenoid - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Secondary alcohol - Sulfenyl compound - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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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