Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(C#N)C(=O)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)=N1

InChIKey

InChIKey=CISGLRQWKFPENC-UHFFFAOYSA-N

Formula

C40H45N3O20S

Mass

919.86

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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 - 5-phenylpyrimidine - Glycosyl compound - N-glycosyl compound - S-glycosyl compound - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Oxane - Benzenoid - Heteroaromatic compound - Monothioacetal - Carboxylic acid ester - Lactam - Sulfenyl compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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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