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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidinethiones Substituted pyrroles Heteroaromatic compounds Oxolanes Fluorohydrins Carboxylic acid esters Secondary alcohols Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organosulfur compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary amines
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