Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NC2=C(N1C[C@@H](O)COC1=CC=C(Cl)C=C1)C(=O)NC(=O)N2C

InChIKey

InChIKey=KXSQNNDUQDWLDA-GFCCVEGCSA-N

Formula

C18H21ClN4O4S

Mass

424.9

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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 - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Secondary alcohol - Lactam - Sulfenyl compound - Thioether - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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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