(2R)-2-[2-azanyl-6-(2-hydroxyethylsulfanyl)purin-9-yl]-2-(3-diethoxyphosphorylpropoxy)ethanol

Systemtic Name: (2R)-2-[2-azanyl-6-(2-hydroxyethylsulfanyl)purin-9-yl]-2-(3-diethoxyphosphorylpropoxy)ethanol Openeye Name: (2R)-2-[2-amino-6-(2-hydroxyethylsulfanyl)purin-9-yl]-2-(3-diethoxyphosphorylpropoxy)ethanol CAS Name: (2R)-2-[2-amino-6-(2-hydroxyethylthio)-9-purinyl]-2-(3-diethoxyphosphorylpropoxy)ethanol IUPAC Name: (2R)-2-[2-amino-6-(2-hydroxyethylsulfanyl)purin-9-yl]-2-(3-diethoxyphosphorylpropoxy)ethanol Traditional Name: (2R)-2-[2-amino-6-(2-hydroxyethylthio)purin-9-yl]-2-(3-diethoxyphosphorylpropoxy)ethanol Formula: C16H28N5O6PS MolecularWeight: 449.462181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCOC(CO)N1C=NC2=C1N=C(N=C2SCCO)N)OCC

Isomeric SMILES

CCOP(=O)(CCCO[C@H](CO)N1C=NC2=C1N=C(N=C2SCCO)N)OCC

InChI

InChI=1S/C16H28N5O6PS/c1-3-26-28(24,27-4-2)8-5-7-25-12(10-23)21-11-18-13-14(21)19-16(17)20-15(13)29-9-6-22/h11-12,22-23H,3-10H2,1-2H3,(H2,17,19,20)/t12-/m1/s1