Structure Information
Structure

Compound Identification

SMILES

NC1=CC=C(C=C1)C(=O)NC(=CC1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=C(N1)C(=O)NC(=S)N2

InChIKey

InChIKey=KGOUFUXEYDIKOB-UHFFFAOYSA-N

Formula

C20H15N7O4S

Mass

449.45

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