Structure Information
Structure

Compound Identification

SMILES

COCC1=C(CC(O)=O)C(N(C(=O)NC(CCC2CCN([O-])CC2)C2=CC=CC=N2)C(=O)N1)C1=CC(F)=C(F)C=C1

InChIKey

InChIKey=ORSJTNPDXDYNKF-UHFFFAOYSA-N

Formula

C28H32F2N5O6

Mass

572.59

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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

Halobenzene - Fluorobenzene - Pyrimidone - Benzenoid - Pyridine - Piperidine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Urea - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic anion - 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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