Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=C(C=C(\C=C3/SC(=O)NC3=O)C=C2)C(=N1)C1=CC(Cl)=C(C=C1)N1CCN(CCO)CC1

InChIKey

InChIKey=IRXZKNLZQXNNRD-XKZIYDEJSA-N

Formula

C25H24ClN5O3S

Mass

510.01

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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

Phenylpiperazine - 4-phenylpyrimidine - N-arylpiperazine - Quinazoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Thiazolidinedione - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperazine - Benzenoid - Heteroaromatic compound - Dicarboximide - Thiazolidine - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary amine - Thiocarbamic acid derivative - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Alkanolamine - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Primary alcohol - Organic oxide - 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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