3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propan-1-ol

Systemtic Name: 3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propan-1-ol Openeye Name: 3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propan-1-ol CAS Name: 3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylthio)-1-propanol IUPAC Name: 3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propan-1-ol Traditional Name: 3-adenin-9-yloxy-2-(diethoxyphosphorylmethylthio)propan-1-ol Formula: C13H22N5O5PS MolecularWeight: 391.383041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(CO)CON1C=NC2=C1N=CN=C2N)OCC

Isomeric SMILES

CCOP(=O)(CSC(CO)CON1C=NC2=C1N=CN=C2N)OCC

InChI

InChI=1S/C13H22N5O5PS/c1-3-22-24(20,23-4-2)9-25-10(5-19)6-21-18-8-17-11-12(14)15-7-16-13(11)18/h7-8,10,19H,3-6,9H2,1-2H3,(H2,14,15,16)