Structure Information
Structure

Compound Identification

SMILES

CC1=N\C(=C2\C=CNC(Cl)=C2)C(=S)C(=N1)N1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C

InChIKey

InChIKey=CKHYGVAIKOXTEF-JLSVBUMTSA-N

Formula

C20H24ClN5O2S

Mass

433.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Piperazine carboxylic acids and derivatives

Direct Parent

Piperazine carboxylic acids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Piperazine-1-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dihydropyridine - 4-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyridine - Hydropyrimidine - 5,6-dihydropyrimidine - Pyrimidine - Imidolactam - Pyrrolidine - Carbamic acid ester - Ketene acetal or derivatives - Thioketone - Azacycle - Chloroalkene - Haloalkene - Carboxylic acid amidine - Organic 1,3-dipolar compound - Secondary aliphatic amine - Enamine - Amidine - Propargyl-type 1,3-dipolar organic compound - Allylamine - Carboximidamide - Secondary amine - Vinyl halide - Vinyl chloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Thiocarbonyl group - Organohalogen compound - Organochloride - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.

External Descriptors

Not available

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