Compound Identification
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1.CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O.FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1
InChIKey
InChIKey=YKEWSVHEFQBOGE-IMWSQAIJSA-N
Formula
C32H32ClF3N6O9S
Mass
769.15
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
Benzoxazines Aminopyrimidines and derivatives Pyrimidones Ynones Aryl chlorides Benzenoids Hydropyrimidines Imidolactams Vinylogous amides Carbamate esters Dihydrofurans Heteroaromatic compounds Oxathiolanes Monothioacetals Ureas Lactams Azacyclic compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives Alkyl fluorides Primary alcohols Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
3'-thia pyrimidine nucleoside - Benzoxazine - Aminopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - Ynone - Benzenoid - Imidolactam - Dihydrofuran - Heteroaromatic compound - Monothioacetal - Oxathiolane - Carbamic acid ester - Vinylogous amide - Urea - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic 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