Structure Information
Structure

Compound Identification

SMILES

NC(=O)CC1=C(OC(=O)C2=CC=C(C=C2)N=C(N)NN2CCOCC2)C=CC2=C1C=CC(=C2)C(N)=N

InChIKey

InChIKey=INSBBVKPQSCOMI-UHFFFAOYSA-N

Formula

C25H27N7O4

Mass

489.536

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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

Aminobenzoic acids and derivatives

Direct Parent

Guanidinobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Guanidinobenzoic acid or derivatives - Benzoate ester - Naphthalene - Phenol ester - Benzoyl - Morpholine - Oxazinane - Carboxamide group - Carboxylic acid ester - Guanidine - Primary carboxylic acid amide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

External Descriptors

Not available

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