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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
- Subclass Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
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
Pyrrolidine carboxylic acids Pyrimidinethiones Dihydropyridines 4-Thiopyrimidines Hydropyrimidines Imidolactams Carbamate esters Thioketones Ketene acetals Allylamines Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Chloroalkenes Carboximidamides Carboxamidines Vinyl chlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
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