Compound Identification
SMILES
CCOP(=O)(CC1CC(ON1C)N1C=C(Br)C(=O)NC1=O)OCC
InChIKey
InChIKey=TZTOCEYLDKZSFB-UHFFFAOYSA-N
Formula
C13H21BrN3O6P
Mass
426.204
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
Phosphonated 2'-oxa,3'-aza pyrimidine nucleosides
Intermediate Tree Nodes
Not available
Direct Parent
Phosphonated 2'-oxa,3'-aza pyrimidine nucleosides
Alternative Parents
Pyrimidones Dialkyl alkylphosphonates Halopyrimidines Phosphonic acid esters Aryl bromides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Isoxazolidines Ureas Lactams Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Organobromides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organophosphorus compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phosphonated 2'-oxa,3'-aza pyrimidine nucleoside - Dialkyl alkylphosphonate - Halopyrimidine - Phosphonic acid diester - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Phosphonic acid ester - Pyrimidine - Heteroaromatic compound - Isoxazolidine - Organophosphonic acid derivative - Vinylogous amide - Lactam - Urea - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organobromide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phosphonated 2'-oxa,3'-aza pyrimidine nucleosides. These are nucleoside and nucleotide analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-aza derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides. Moreover, a phosphonate group s attached to the C4-atom of the resulting 1.3-oxazolidine.
External Descriptors
Not available