Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)C=C1

InChIKey

InChIKey=JOHWGEPCKGADCM-UHFFFAOYSA-N

Formula

C20H14N6O4S

Mass

434.43

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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 - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Pyrimidone - Pyrimidinethione - Thiopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - 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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