Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C)N=C(CCC2=NC(NCC3=CC(NC(=O)OC(C)C)=CC(Cl)=C3)=CC(=C2)N2CCOCC2)S1

InChIKey

InChIKey=VQCZRRYZXFJVQA-UHFFFAOYSA-N

Formula

C28H36ClN5O3S

Mass

558.14

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzylamines

Intermediate Tree Nodes

Not available

Direct Parent

2-benzylaminopyridines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-benzylaminopyridine - Phenylcarbamic acid ester - 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Aminopyridine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Oxazinane - Pyridine - Aryl chloride - Morpholine - Imidolactam - Aryl halide - Carbamic acid ester - Thiazole - Heteroaromatic compound - Azole - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.

External Descriptors

Not available

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