Structure Information
Structure

Compound Identification

SMILES

Cl.COC(=O)CCCN(C)C(=O)C1=NC=C(C=N1)C1=CC=C(C=C1)C(N)=N

InChIKey

InChIKey=QXZCMGUQLIIPNK-UHFFFAOYSA-N

Formula

C18H22ClN5O3

Mass

391.86

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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 - Pyrimidine-2-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amidine - Carboxylic acid amidine - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrochloride - 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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