Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CN=CC2C(=O)NC(=S)N(CC=C)C2=O)C=C1

InChIKey

InChIKey=KHSQNVUDHKKTHN-UHFFFAOYSA-N

Formula

C16H17N3O3S

Mass

331.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Thiobarbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiobarbiturate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-diazinane - 1,3-dicarbonyl compound - Benzenoid - Thiourea - Shiff base - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Carboxylic acid derivative - Ether - Organic oxygen compound - Imine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.

External Descriptors

Not available

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