[3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propyl] ethanoate

Systemtic Name: [3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propyl] ethanoate Openeye Name: [3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propyl] acetate CAS Name: acetic acid [3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylthio)propyl] ester IUPAC Name: [3-(6-aminopurin-9-yl)oxy-2-(diethoxyphosphorylmethylsulfanyl)propyl] acetate Traditional Name: acetic acid [3-adenin-9-yloxy-2-(diethoxyphosphorylmethylthio)propyl] ester Formula: C15H24N5O6PS MolecularWeight: 433.419721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N5O6PS/c1-4-25-27(22,26-5-2)10-28-12(6-23-11(3)21)7-24-20-9-19-13-14(16)17-8-18-15(13)20/h8-9,12H,4-7,10H2,1-3H3,(H2,16,17,18)