Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(=CC(C(C)C)=C1O)C1=NC(CCOC2=C(OP(=O)=O)C=C(CN3CCSCC3)C=N2)=CS1

InChIKey

InChIKey=MDJKGHXHYGMKPZ-UHFFFAOYSA-N

Formula

C27H34N3O5PS2

Mass

575.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Phenol - Aralkylamine - Pyridine - 1,4-thiazinane - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Thioether - Ether - Dialkylthioether - Organoheterocyclic compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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