Structure Information
Structure

Compound Identification

SMILES

CC1(C)O[C@@H]2[C@H](COCS([O-])(=O)=O)O[C@@H]([C@H]2O1)N1C=C(F)C(=O)NC1=O

InChIKey

InChIKey=JBDGTMCLYQAFJR-DKIAZLNASA-M

Formula

C13H16FN2O9S

Mass

395.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Halopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Halopyrimidine - Ketal - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Monosaccharide - Meta-dioxolane - Oxolane - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Lactam - Urea - Oxacycle - Azacycle - Acetal - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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