Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=NC2=C(N1)C(=O)NC(=S)N2

InChIKey

InChIKey=CPOLYGYSVBOKSK-UHFFFAOYSA-N

Formula

C11H7N5O3S

Mass

289.27

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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 - 2-phenylimidazole - 6-oxopurine - Purinone - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Thiourea - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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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