Structure Information
Structure

Compound Identification

SMILES

O=C1NC(=S)NC2=C1NC(=N2)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=XLXKJPYXVDMCLY-UHFFFAOYSA-N

Formula

C12H8N4O3S

Mass

288.28

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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 - Purinone - Benzodioxole - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Benzenoid - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Thiourea - Lactam - Oxacycle - Azacycle - Acetal - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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