Compound Identification
SMILES
OC[C@@H]1O[C@@H](CS1)N1C=CC(NC(=O)C2=C(NC3=CC=CC(=C3)C(F)(F)F)N=CC=C2)=NC1=O
InChIKey
InChIKey=OFFKQDGIQPFSBF-DLBZAZTESA-N
Formula
C21H18F3N5O4S
Mass
493.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
3'-thia pyrimidine nucleosides
Intermediate Tree Nodes
Not available
Direct Parent
3'-thia pyrimidine nucleosides
Alternative Parents
Trifluoromethylbenzenes Nicotinamides Aniline and substituted anilines Aminopyridines and derivatives Pyrimidones Hydropyrimidines Imidolactams Vinylogous amides Heteroaromatic compounds Monothioacetals Oxathiolanes Amino acids and derivatives Secondary carboxylic acid amides Secondary amines Azacyclic compounds Oxacyclic compounds Alkyl fluorides Primary alcohols Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3'-thia pyrimidine nucleoside - Trifluoromethylbenzene - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyridine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Oxathiolane - Monothioacetal - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides.
External Descriptors
Not available