Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(OC)C=CC(CNC2=CC(C)=NC3=NC=NN23)=C1

InChIKey

InChIKey=KMYSMNITUVAKGX-UHFFFAOYSA-N

Formula

C16H17N5O3

Mass

327.344

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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

Methoxybenzoic acids and derivatives

Direct Parent

O-methoxybenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-methoxybenzoic acid or derivatives - Benzoate ester - Triazolopyrimidine - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Azole - Methyl ester - Triazole - 1,2,4-triazole - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.

External Descriptors

Not available

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