Structure Information
Structure

Compound Identification

SMILES

O=C(NCCN1CCOCC1)C1=CC=C(C=C1)C1=C2CCN(C2=NC(=N1)N1CCOCC1)C1=CC=NC=C1

InChIKey

InChIKey=LOFZRPWGRMGWGX-UHFFFAOYSA-N

Formula

C28H33N7O3

Mass

515.618

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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 - Alkyldiarylamine - Benzamide - Benzoic acid or derivatives - Pyrrolopyrimidine - Benzoyl - Dialkylarylamine - Aminopyrimidine - Aminopyridine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Benzenoid - Imidolactam - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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