Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(N)C2=C(N=C(OCCN3CCCC3=O)N=C2S1)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=OBOYBZYWFVZZEZ-UHFFFAOYSA-N

Formula

C19H18ClN5O3S

Mass

431.9

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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 - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyrrolidone - Aminothiophene - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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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