Structure Information
Structure

Compound Identification

SMILES

CSC1=NC(C2=CC=C(C=C2)[N+]([O-])=O)=C(C#N)C(=O)N1C

InChIKey

InChIKey=CPWITPNSLIUQSO-UHFFFAOYSA-N

Formula

C13H10N4O3S

Mass

302.31

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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

4-phenylpyrimidine - 5-phenylpyrimidine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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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