Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(SCC#N)=NC1C1=CC(Br)=CC=C1

InChIKey

InChIKey=LZVMUSWUBUVOCI-UHFFFAOYSA-N

Formula

C16H16BrN3O2S

Mass

394.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Hydropyrimidines

Direct Parent

Hydropyrimidine carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydropyrimidine carboxylic acid derivative - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Sulfenyl compound - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.

External Descriptors

Not available

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