Compound Identification
SMILES
OC(=O)C(F)(F)F.ClC1=CN=C2NC3=CC=CC(CSCCC4=CC(NC1=N2)=CC=C4)=C3
InChIKey
InChIKey=OHLUMVQDFDNDDW-UHFFFAOYSA-N
Formula
C21H18ClF3N4O2S
Mass
482.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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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
Halopyrimidines
Alternative Parents
Aryl chlorides Benzenoids Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Secondary amines Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Not available
Substituents
Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Dialkylthioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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