Structure Information
Structure

Compound Identification

SMILES

CN1CC=C[C+](C1)C(=O)[C@]1(O)C(F)[C@@H](O[C@]1(F)C(O)(F)C(=O)C(C)(C)C)N1C=C(C)C(=O)NC1=O

InChIKey

InChIKey=LDXMAUBSSXUKRI-ANSCBLETSA-O

Formula

C22H27F3N3O7

Mass

502.467

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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

Pyrimidones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidone - Acyloin - Beta-aminoketone - Hydropyrimidine - Hydropyridine - Alpha-haloketone - Alpha-hydroxy ketone - Heteroaromatic compound - Oxolane - Vinylogous amide - Tertiary alcohol - Lactam - Ketone - Tertiary aliphatic amine - Tertiary amine - Urea - Halohydrin - Fluorohydrin - Oxacycle - Azacycle - Organic nitrogen compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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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