Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N=C(C)N=C1SCC(=O)N(CCC#N)C1=CC(C)=CC(C)=C1

InChIKey

InChIKey=KSKMEKCALVEFLN-UHFFFAOYSA-N

Formula

C21H24N4O3S

Mass

412.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-5-carboxylic acid - Anilide - Aryl thioether - M-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Cyanide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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