Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C(NC2=NC(=CC(=N2)N2CCCN(CC2)C(C)=O)C2=CC=C(C=C2)C(O)=O)S1

InChIKey

InChIKey=ASGAHMHUTURAES-UHFFFAOYSA-N

Formula

C25H28N6O5S

Mass

524.6

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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 - Benzoic acid or derivatives - Benzoic acid - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - 1,4-diazepane - Diazepane - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Acetamide - Azole - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Carboxylic acid ester - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Amine - Organonitrogen 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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