Structure Information
Structure

Compound Identification

SMILES

[Ca++].CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1C=CC(O)CC(O)CC([O-])=O)N(C)S(C)(=O)=O.CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1C=CC(O)CC(O)CC([O-])=O)N(C)S(C)(=O)=O

InChIKey

InChIKey=LALFOYNTGMUKGG-UHFFFAOYSA-L

Formula

C44H54CaF2N6O12S2

Mass

1001.14

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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

Phenylpyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

4-phenylpyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Hydroxy acid - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Unsaturated fatty acid - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Azacycle - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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