Structure Information
Structure

Compound Identification

SMILES

[Ca++].[O-]C(=O)C1=NC=C(OCCCCCl)C=C1.[O-]C(=O)C1=NC=C(OCCCCCl)C=C1

InChIKey

InChIKey=SUMXLORJRYGFQB-UHFFFAOYSA-L

Formula

C20H22CaCl2N2O6

Mass

497.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Pyridinecarboxylic acids and derivatives

Intermediate Tree Nodes

Pyridinecarboxylic acids - Pyridine-2-carboxylic acids

Direct Parent

5-alkoxy-2-carboxypyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Organic calcium salt - Organic metal halide - Carboxylic acid - Azacycle - Ether - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring.

External Descriptors

Not available

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