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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenols Aralkylamines Alkyl aryl ethers 2,4-disubstituted thiazoles Thiomorpholines Pyridines and derivatives Heteroaromatic compounds Trialkylamines Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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