Structure Information
Structure

Compound Identification

SMILES

S=C1NC(=S)C2=C(CC3=NN4C(CC5=CC=CC=C5)=NN=C4S3)NNC2=N1

InChIKey

InChIKey=JRXHBWDCJDGWTA-UHFFFAOYSA-N

Formula

C16H12N8S3

Mass

412.51

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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

Dithioxanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dithioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - 1,2,4-triazole - Thiadiazole - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dithioxanthines. These are compounds containing a dithioxanthine moiety, a xanthine derivative obtained by replacing the two ketone groups by two thioketone groups.

External Descriptors

Not available

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