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Structure Information
Structure

Compound Identification

SMILES

CCOP(=O)(CO[C@@H]1CCC[C@H]1N1C(Br)=NC2=C1N=C(OCCOC)N=C2N)OCC

InChIKey

InChIKey=GOXLCQUBSZXKCR-CHWSQXEVSA-N

Formula

C18H29BrN5O6P

Mass

522.337

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Nucleoside and nucleotide analogues

Subclass

Phosphonated cyclopentyl nucleosides

Intermediate Tree Nodes

1,2-substituted phosphonated cyclopentyl nucleosides

Direct Parent

1,2-substituted phosphonated cyclopentyl purine nucleosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,2-substituted phosphonated cyclopentyl purine nucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Alkyl aryl ether - Dialkyl alkylphosphonate - Aminopyrimidine - Phosphonic acid diester - N-substituted imidazole - Aryl bromide - Phosphonic acid ester - Pyrimidine - Imidolactam - Aryl halide - Organophosphonic acid derivative - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organophosphorus compound - Primary amine - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,2-substituted phosphonated cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a phosphonate group, and at the 2-position with either a purine base.

External Descriptors

Not available

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