Structure Information
Structure

Compound Identification

SMILES

NCCNC1=CC=C(CCCCN=C(N)NC(=O)C2=C(N)N=C(N)C(Cl)=N2)C=C1

InChIKey

InChIKey=WPGHFWFUZZMHDO-UHFFFAOYSA-N

Formula

C18H26ClN9O

Mass

419.92

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylbutylamine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenylalkylamine - Aniline or substituted anilines - Aminopyrazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Pyrazine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Guanidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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