Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(NC2=NC(NCCN3CCOCC3)=CC(NC3=NNC(C)=C3)=N2)C=C1

InChIKey

InChIKey=JEASYUIWLMGSRF-UHFFFAOYSA-N

Formula

C22H28N8O3

Mass

452.519

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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