Structure Information
Structure

Compound Identification

SMILES

CC1(C)C[C@@H](CC(=C)N1)NC1=NC=CC(=N1)C1=CC=C(CCC(O)=O)C=C1

InChIKey

InChIKey=SGJHMQNCECOQMP-QGZVFWFLSA-N

Formula

C21H26N4O2

Mass

366.465

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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 - 3-phenylpropanoic-acid - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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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