Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)=C(Cl)C=C1

InChIKey

InChIKey=DLDRQYXWWLRNGZ-UHFFFAOYSA-N

Formula

C20H13Cl2N5O2S

Mass

458.32

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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

Thioxanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thioxanthine - 6-oxopurine - Benzamide - Benzoic acid or derivatives - 1,4-dichlorobenzene - Benzoyl - 2-thiopyrimidine - Halobenzene - Thiopyrimidine - Chlorobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.

External Descriptors

Not available

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