Structure Information
Structure

Compound Identification

SMILES

NCCC1=CN=CN1.NC(SCCCC1=CN=CN1)=NCC1=CC=C(Cl)C=C1

InChIKey

InChIKey=XQCJZIGSQUCFGA-UHFFFAOYSA-N

Formula

C19H26ClN7S

Mass

419.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Amines

Intermediate Tree Nodes

Primary amines

Direct Parent

2-arylethylamines

Alternative Parents

Chlorobenzenes Aralkylamines Aryl chlorides Imidazoles Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

2-arylethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hydrocarbon derivative - Organosulfur compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.

External Descriptors

Not available

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