Compound Identification
SMILES
OC(=O)C(O)=O.CCOCCC1=CC(C)=C(OCCNC2=C3C=CSC3=NC=N2)C=C1
InChIKey
InChIKey=SSKDBVXMHSKZEX-UHFFFAOYSA-N
Formula
C21H25N3O6S
Mass
447.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Tyrosols and derivatives
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Tyrosols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tyrosols and derivatives
Alternative Parents
Thienopyrimidines Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Not available
Substituents
Tyrosol derivative - Thienopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
External Descriptors
Not available