Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCSC3=NN=NN3C3=CC=CC=C3)C(=N2)N2CCC(CC2)C(N)=O)C(=O)NC1=O

InChIKey

InChIKey=PEKSUBRYHSZKQB-UHFFFAOYSA-N

Formula

C21H24N10O3S

Mass

496.55

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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

Phenyltetrazole - Xanthine - 6-oxopurine - Purinone - Piperidinecarboxamide - Alkaloid or derivatives - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Aminoimidazole - Piperidine - Imidazole - Heteroaromatic compound - Azole - Tetrazole - Vinylogous amide - Lactam - Carboxamide group - Urea - Primary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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