Structure Information
Structure

Compound Identification

SMILES

Cl.COC(=O)CSC1=NC2=C(N(CC#CC)C(=N2)N2CCNCC2)C(=O)N1CC#N

InChIKey

InChIKey=NKPGKJOLJLEHIR-UHFFFAOYSA-N

Formula

C18H22ClN7O3S

Mass

451.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

N-arylpiperazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-arylpiperazine - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - Aminoimidazole - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Methyl ester - Azole - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrochloride - Organic oxygen compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.

External Descriptors

Not available

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