Structure Information
Structure

Compound Identification

SMILES

CN(C)C(=O)CN1C=C(C=N1)C1=NC(=NO1)C1(CC1)C1=CC=C(C=C1)C1=CN=C(N)N=C1

InChIKey

InChIKey=VAAPYECJHQQRAS-UHFFFAOYSA-N

Formula

C22H22N8O2

Mass

430.472

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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 heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-oxadiazole - Oxadiazole - Tertiary carboxylic acid amide - Pyrazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Primary amine - 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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