Compound Identification
SMILES
Cl.CS(=O)(=O)OC1=C(N=C2N(CC3CCC2(N)CC3)C1=O)C(=O)NCC1=CC=C(F)C=C1
InChIKey
InChIKey=PWEBVUSUYHGMIV-UHFFFAOYSA-N
Formula
C20H24ClFN4O5S
Mass
486.94
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-heteroaryl carboxamides Pyrimidones Aralkylamines Azepines Fluorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl fluorides Sulfonyls Methanesulfonates Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Monoalkylamines Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Azepine - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Methanesulfonate - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrochloride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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