Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)OCCCOCC(CCO[N+]([O-])=O)O[N+]([O-])=O)N(C)S(C)(=O)=O

InChIKey

InChIKey=HVVHLKCBLXPSQF-YSAIISPPSA-N

Formula

C29H40FN5O13S

Mass

717.72

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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

Aromatic heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Beta-hydroxy acid - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Hydroxy acid - Fatty acyl - Benzenoid - Organic nitrate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkyl nitrate - Aminosulfonyl compound - Sulfonyl - Organic nitro compound - Organic nitric acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic zwitterion - Carbonyl group - Organohalogen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organonitrogen compound - 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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