Compound Identification
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)CN1C(=O)C(OS(C)(=O)=O)=C(N=C21)C(=O)NCC1=CC=C(F)C=C1
InChIKey
InChIKey=BKLFGZISTATPGA-UHFFFAOYSA-N
Formula
C25H31FN4O7S
Mass
550.6
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 Azepines Fluorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl fluorides Sulfonyls Carbamate esters Methanesulfonates Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Azepine - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - 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