Structure Information
Structure

Compound Identification

SMILES

CC1=CN2C(S1)=NC(=O)C(=CC1=CC=C(O1)C1=CC=C(Cl)C=C1)C2=N

InChIKey

InChIKey=XQAJDMAHHWABDG-UHFFFAOYSA-N

Formula

C18H12ClN3O2S

Mass

369.82

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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

Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Heteroaromatic compound - Furan - Meta-thiazoline - Isothiourea - N-acylimine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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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