Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=NC(=NC(=C1)C(=O)N1CCN(CC1)C(=O)NCC1=CC=C(Cl)C=C1)N(C)C

InChIKey

InChIKey=ANAQQNJXFXMYES-UHFFFAOYSA-N

Formula

C21H28ClN7O2

Mass

445.95

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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

Pyrimidinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Piperazine-1-carboxamide - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Dialkylarylamine - Chlorobenzene - Aminopyrimidine - Halobenzene - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Benzenoid - Piperazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

External Descriptors

Not available

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