Structure Information
Structure

Compound Identification

SMILES

NC(CCCNC1=NC=C(C2=NN=NN2C2=CC=CC=C2)C(=N1)C1=CC(Cl)=CC=C1)C(O)=O

InChIKey

InChIKey=WQRROZHZJANERX-UHFFFAOYSA-N

Formula

C22H21ClN8O2

Mass

464.91

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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 - 5-phenylpyrimidine - Phenyltetrazole - Alpha-amino acid - Alpha-amino acid or derivatives - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Primary amine - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - 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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