Compound Identification
SMILES
CCC(C)OP(O)(=O)COC1CCCC1N1C(Br)=NC2=C1N=C(OCCOC)N=C2N
InChIKey
InChIKey=GVTQFNHSROTNMR-UHFFFAOYSA-N
Formula
C18H29BrN5O6P
Mass
522.337
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
6-aminopurines Alkyl aryl ethers Aminopyrimidines and derivatives Phosphonic acid esters Aryl bromides N-substituted imidazoles Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Primary amines Organic oxides Organobromides Organophosphorus compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-substituted phosphonated cyclopentyl purine nucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Aryl bromide - Phosphonic acid ester - Pyrimidine - Aryl halide - Imidolactam - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Imidazole - 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