Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C1=CN=C2N(C(=O)C(C)(CC3=CC=C(C=C3)C3=CN=CN=C3)N12)C1=CC(Cl)=CC(Cl)=C1

InChIKey

InChIKey=CUCPCGCAJKYHIV-UHFFFAOYSA-N

Formula

C32H33Cl2N7O5S

Mass

698.62

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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

5-phenylpyrimidine - Amphetamine or derivatives - Piperazine-1-carboxylic acid - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - N-substituted imidazole - Organosulfonic acid amide - Piperazine - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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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