Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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