Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC(=O)COC2=C(C=C3C(=O)NC(=S)NC3=O)C=C(Br)C=C2)C=C1

InChIKey

InChIKey=IKAIIERNRHTXRK-UHFFFAOYSA-N

Formula

C20H16BrN3O5S

Mass

490.33

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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

Methoxyaniline - Anilide - Thiobarbiturate - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Thiourea - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - 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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