Structure Information
Structure

Compound Identification

SMILES

O=C(NC1CC1)NC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1

InChIKey

InChIKey=LRBNFWWCCPYNIY-UHFFFAOYSA-N

Formula

C21H17N5O2S

Mass

403.46

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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 - N-phenylurea - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Vinylogous amide - Urea - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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