Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=S)C2=C(N1)N(C=C2)[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@@H]1F

InChIKey

InChIKey=PNJSQJABNOADHB-OQMKEHIESA-N

Formula

C18H17FN4O4S

Mass

404.42

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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 heteropolycyclic compounds

Substituents

Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Pyrimidinethione - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Oxolane - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Fluorohydrin - Halohydrin - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic 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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