Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@H](CC)SC1=NC2=C(N1C[C@@H](O)COC1=CC=CC3=CC=CC=C13)C(=O)NC(=O)N2C

InChIKey

InChIKey=QGBWDGWFKQAHDP-VQIMIIECSA-N

Formula

C25H28N4O6S

Mass

512.58

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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 - Naphthalene - Purinone - Alkaloid or derivatives - Aryl thioether - Phenol ether - Alkyl aryl ether - Fatty acid ester - Pyrimidone - Alkylarylthioether - Benzenoid - N-substituted imidazole - Pyrimidine - Fatty acyl - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Urea - Lactam - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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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