Structure Information
Structure

Compound Identification

SMILES

COCCCNC(=O)C1=CN=C(N=C1C1=CC=C(C=C1)C#N)N1CCOCC1

InChIKey

InChIKey=MULKYECRUVUBQD-UHFFFAOYSA-N

Formula

C20H23N5O3

Mass

381.436

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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 - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Benzonitrile - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Cyanide - Organic oxide - 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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