Structure Information
Structure

Compound Identification

SMILES

CN1CCN(CC1)C(=O)C1=CN=C(N=C1C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=GDTDQLOBDSTBGX-UHFFFAOYSA-N

Formula

C22H20ClN5O3

Mass

437.88

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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 - Nitrobenzene - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Aryl halide - Benzenoid - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - 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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