Structure Information
Structure

Compound Identification

SMILES

OC(=NC1COC2C(COC12)NC1=NC=CC(=N1)C1=CC=CC(=C1)C#N)N1CCOCC1

InChIKey

InChIKey=LRIHDQKTFJAFSC-UHFFFAOYSA-N

Formula

C22H24N6O4

Mass

436.472

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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 - Benzonitrile - Furofuran - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Oxolane - Isourea - Carboximidic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Cyanide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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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