Compound Identification
SMILES
FC(F)(F)C1=NC(Cl)=NC=C1C(=O)N1CCCN1C(=S)NCCC1=CCCCC1
InChIKey
InChIKey=BARRMVCQFSDNLB-UHFFFAOYSA-N
Formula
C18H21ClF3N5OS
Mass
447.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
2-halopyrimidines Aryl chlorides Thiosemicarbazides Pyrazolidines Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organosulfur compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid or derivatives - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrazolidine - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available