Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C(OC)C=C(C=C1)C1=CN=C(SCC(=O)NCC[C@@H]2C[C@@H](CC3=CC(Cl)=C(Cl)C=C3)CN2C(=O)OC(C)(C)C)N=C1

InChIKey

InChIKey=IMLDARRHGJGIBJ-MBUMRYSBSA-N

Formula

C32H39Cl3N4O5S

Mass

698.1

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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 heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - 1,2-dichlorobenzene - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkylarylthioether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrochloride - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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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