Structure Information
Structure

Compound Identification

SMILES

[I-].CSC1=NC(=CC=[N+]1NC1=CC=C(C=C1)N(=O)=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=DZSCFAHXPVDFDT-UHFFFAOYSA-M

Formula

C18H17IN4O2S

Mass

480.32

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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 - Phenylhydrazine - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Sulfenyl compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic iodide salt - Organonitrogen compound - Organosulfur 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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