Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1.FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1.CC(C)OC(=O)OCOP(=O)(CO[C@H](C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C
InChIKey
InChIKey=QDRMCFDXPIEYGX-NWRGJBOJSA-N
Formula
C45H53ClF4N9O19PS
Mass
1198.44
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
6-aminopurines Benzoxazines Halopyrimidines Dialkyl alkylphosphonates Pyrimidones Aminopyrimidines and derivatives Aryl chlorides Aryl fluorides Benzenoids Phosphonic acid esters Carbonic acid diesters Unsaturated fatty acids N-substituted imidazoles Dicarboxylic acids and derivatives Imidolactams Hydropyrimidines Ynones Oxathiolanes Carbamate esters Monothioacetals Heteroaromatic compounds Carboxylic acids Azacyclic compounds Oxacyclic compounds Organochlorides Alkyl fluorides Organofluorides Organophosphorus compounds Organic oxides Primary alcohols Hydrocarbon derivatives Primary amines
Molecular Framework
Not available
Substituents
3'-thia pyrimidine nucleoside - 6-aminopurine - Benzoxazine - Purine - Imidazopyrimidine - Aminopyrimidine - Dialkyl alkylphosphonate - Halopyrimidine - Pyrimidone - Phosphonic acid diester - Fatty acid - Fatty acyl - Imidolactam - Aryl halide - Benzenoid - Ynone - Hydropyrimidine - Unsaturated fatty acid - N-substituted imidazole - Pyrimidine - Aryl fluoride - Carbonic acid diester - Dicarboxylic acid or derivatives - Phosphonic acid ester - Aryl chloride - Heteroaromatic compound - Oxathiolane - Carbamic acid ester - Imidazole - Azole - Monothioacetal - Organophosphonic acid derivative - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organophosphorus compound - Primary alcohol - Amine - Alkyl halide - Carbonyl group - Primary amine - Alkyl fluoride - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - 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