Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1

InChIKey

InChIKey=XLJRXQYSDUXKNR-UHFFFAOYSA-N

Formula

C29H33N7O2

Mass

511.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenethylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenethylamines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolopyrimidine - Phenethylamine - Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Aralkylamine - N-alkylpiperazine - Aminopyrimidine - Pyrimidine - Imidolactam - Substituted pyrrole - Piperazine - 1,4-diazinane - Heteroaromatic compound - Acetamide - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.

External Descriptors

Not available

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