Compound Identification
SMILES
COC1=C(OC)C=C(CCOC2=NC(Cl)=NC(N\N=C\C3=CC(C)=CC=C3)=N2)C=C1
InChIKey
InChIKey=LAELYZKKBVYDFL-YDZHTSKRSA-N
Formula
C21H22ClN5O3
Mass
427.89
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
Dimethoxybenzenes Phenoxy compounds Anisoles Alkoxy-S-triazines Toluenes Chloro-s-triazines Aminotriazines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Hydrazones Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tyrosol derivative - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkoxy-s-triazine - Toluene - Chloro-s-triazine - Amino-1,3,5-triazine - Alkyl aryl ether - Halo-s-triazine - Aryl chloride - Monocyclic benzene moiety - 1,3,5-triazine - Aryl halide - Triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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