Compound Identification
SMILES
NC(=O)C1=C(N)C2=C(N=C(OCCN3CCCC3=O)N=C2S1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=OBOYBZYWFVZZEZ-UHFFFAOYSA-N
Formula
C19H18ClN5O3S
Mass
431.9
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
Thienopyrimidines Pyrimidinecarboxamides 2-heteroaryl carboxamides Thiophene carboxamides Alkyl aryl ethers Chlorobenzenes Aminothiophenes Aryl chlorides N-alkylpyrrolidines Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Lactams Tertiary amines Primary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyrrolidone - Aminothiophene - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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