Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1SC(C)C(=O)N1NC1=NC(C2=CC=C(Cl)C=C2)=C(C#N)C(=O)N1C
InChIKey
InChIKey=OQIJIMJUHJKKPE-UHFFFAOYSA-N
Formula
C23H20ClN5O4S
Mass
497.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Hydropyrimidines Thiazolidines Heteroaromatic compounds Carboxylic acid hydrazides Lactams Azacyclic compounds Nitriles Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Methoxyphenol - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Halobenzene - Chlorobenzene - Hydropyrimidine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidine - Heteroaromatic compound - Lactam - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Dialkylthioether - Ether - Thioether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Carbonyl group - Organohalogen 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