Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(N)C2=C(N=C(NC3CC3)N=C2S1)C1=CC(O)=CC(Cl)=C1

InChIKey

InChIKey=ZFHBPRUKTJJSAZ-UHFFFAOYSA-N

Formula

C17H15ClN4O2S

Mass

374.84

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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 - Thienopyrimidine - 3-halophenol - 3-chlorophenol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aminopyrimidine - Phenol - Secondary aliphatic/aromatic amine - 1-hydroxy-4-unsubstituted benzenoid - Aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiophene - Ketone - Secondary amine - Azacycle - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Primary amine - Organonitrogen 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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