Compound Identification
SMILES
CNC(=O)CSC1=NC(=C2C(NC=C2C#N)=N1)C1=CC(O)=C(OC)C=C1Cl
InChIKey
InChIKey=HLCJZGRDNUBELV-UHFFFAOYSA-N
Formula
C17H14ClN5O3S
Mass
403.84
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 Pyrrolo[2,3-d]pyrimidines Anisoles Methoxybenzenes P-chlorophenols Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Methoxyphenol - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Anisole - 4-halophenol - 4-chlorophenol - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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