Structure Information
Structure

Compound Identification

SMILES

[Na+].CCO.COC1=CN=C(OCCOC2=NC=NC([N-]S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)=C2C2=CC=C(C)C=C2)N=C1

InChIKey

InChIKey=PTURESQGCAZWIM-UHFFFAOYSA-N

Formula

C30H36N5NaO6S

Mass

617.7

Export to:

JSON SDF CSV

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

5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Azacycle - Organic alkali metal salt - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - 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

Previous Back Next