Structure Information
Structure

Compound Identification

SMILES

COC1=NC=C(C=N1)C1=CC(OC[C@@H]2CN(CCO2)S(=O)(=O)C2=C(NC3=C2C=C(Cl)C=C3)C(N)=O)=CC=C1

InChIKey

InChIKey=PMTGJSLHKNTGFA-IBGZPJMESA-N

Formula

C25H24ClN5O6S

Mass

558.01

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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

Indolecarboxamide derivative - Indolecarboxylic acid derivative - 5-phenylpyrimidine - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Organosulfonic acid amide - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Oxazinane - Benzenoid - Morpholine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organohalogen 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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