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Structure Information
Structure

Compound Identification

SMILES

O=C(OC[C@@H]1CCC[NH+]2CCCC[C@H]12)C1=NN2C(=C1)N=C(C=C2C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=HXNGFYZLCLPCNU-JYFHCDHNSA-O

Formula

C29H31N4O2

Mass

467.592

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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

Lupinine - 4-phenylpyrimidine - Quinolizidine - Quinolizine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Alkaloid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Azole - Quaternary ammonium salt - Pyrazole - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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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