Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C1=C(N2C(N)=NN=C2N=C1C(=O)OC)C1=CC=C(F)C=C1

InChIKey

InChIKey=OQJBIWZBOXSKBO-UHFFFAOYSA-N

Formula

C16H12FN5O5

Mass

373.3

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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

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Heteroaromatic compound - Azole - Vinylogous amide - Triazole - 1,2,4-triazole - Methyl ester - Carboxylic acid ester - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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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