Structure Information
Structure

Compound Identification

SMILES

CNc1nc(-c2cccc(c2)-c2ccccc2)c2c(N)c(sc2n1)C(=O)OC(N)=O

InChIKey

InChIKey=XFCHRHHNWVUOPN-UHFFFAOYSA-N

Formula

C21H17N5O3S

Mass

419.46

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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

Biphenyl - 4-phenylpyrimidine - Thienopyrimidine - Thiophene carboxylic acid or derivatives - Aminopyrimidine - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - 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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