Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OCCS4(=O)=O)C=C3)N=C12)C1=C(F)C=CC=C1Br

InChIKey

InChIKey=LAQFIKJZGRSSLI-UHFFFAOYSA-N

Formula

C21H17BrFN5O4S

Mass

534.36

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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 heteropolycyclic compounds

Substituents

Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-benzooxathiin - 1,4-oxathiin - Benzenoid - Imidolactam - Sulfone - Heteroaromatic compound - Urea - Ether - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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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