Compound Identification
SMILES
COCCC(=O)NC1=CC=C(C=C1)C1=C(C#N)C(=O)N=C(NC2=CC=C(Cl)C=C2)N1
InChIKey
InChIKey=OMQFIRADRALJEL-UHFFFAOYSA-N
Formula
C21H18ClN5O3
Mass
423.86
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
Anilides N-arylamides Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Chlorobenzenes Hydropyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Nitriles Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Anilide - N-arylamide - Aniline or substituted anilines - Halobenzene - Pyrimidone - Chlorobenzene - Aminopyrimidine - Aryl chloride - Benzenoid - Hydropyrimidine - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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