Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(C=C1)C1=NC(=S)N(CC2=CC(OCCO)=CC=C2)C2=C1C=C(OCC#C)C=C2

InChIKey

InChIKey=WNUBXSUKNMGDHX-UHFFFAOYSA-N

Formula

C29H28N2O3S

Mass

484.61

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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

4-phenylpyrimidine - 5-phenylpyrimidine - Diazanaphthalene - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Quinazoline - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Pyrimidinethione - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Acetylide - Ether - Organopnictogen compound - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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