Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CN=C(SC)N=C1NC1=C(C)C=CC(C)=C1

InChIKey

InChIKey=FODTUQINGRDLJZ-UHFFFAOYSA-N

Formula

C16H19N3O2S

Mass

317.41

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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 - Aryl thioether - P-xylene - Xylene - Aniline or substituted anilines - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Amine - 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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