Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CN=C(SC)N=C1C=[N+]([O-])C1=CC=C(C=C1)N(C)C

InChIKey

InChIKey=IPMVGFRHPDWSLA-UHFFFAOYSA-N

Formula

C17H20N4O3S

Mass

360.43

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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 - Tertiary aliphatic/aromatic amine - Aryl thioether - Dialkylarylamine - Aniline or substituted anilines - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Nitrone - Shiff base - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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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