Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.NC([NH2+]C1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1[N+]([O-])=O)=NC1=CC=CC=C1

InChIKey

InChIKey=ZLXCUQCCHMHDHD-UHFFFAOYSA-N

Formula

C28H23ClN6O5S

Mass

591.04

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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

Not available

Substituents

4-phenylpyrimidine - P-methylbenzenesulfonate - Quinazolinamine - Benzenesulfonate - Tosyl compound - Quinazoline - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - Toluene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Organic nitro compound - Guanidine - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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