Compound Identification
SMILES
COC(=O)C1=C(CCN2CCSC2)NC(=NC1C1=C(Cl)C=C(F)C=C1)C1=C(F)C=C(F)C=N1
InChIKey
InChIKey=AATHEBGPSBOIGV-UHFFFAOYSA-N
Formula
C22H20ClF3N4O2S
Mass
496.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
-
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
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Polyhalopyridines Chlorobenzenes Fluorobenzenes Imidolactams Aryl fluorides Aryl chlorides Vinylogous amides Enoate esters Heteroaromatic compounds Thiazolidines Methyl esters Carboxamidines Dialkylthioethers Thiohemiaminal derivatives Enamines Carboximidamides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Polyhalopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Thiazolidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Dialkylthioether - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available