[6-azanyl-2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]purin-3-yl] ethanoate

Systemtic Name: [6-azanyl-2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]purin-3-yl] ethanoate Openeye Name: [6-amino-2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]purin-3-yl] acetate CAS Name: acetic acid [6-amino-2-[2-(diethoxyphosphorylmethylthio)propoxy]-3-purinyl] ester IUPAC Name: [6-amino-2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]purin-3-yl] acetate Traditional Name: acetic acid [6-amino-2-[2-(diethoxyphosphorylmethylthio)propoxy]purin-3-yl] ester Formula: C15H24N5O6PS MolecularWeight: 433.419721

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(C)COC1=NC(=C2C(=NC=N2)N1OC(=O)C)N)OCC

Isomeric SMILES

CCOP(=O)(CSC(C)COC1=NC(=C2C(=NC=N2)N1OC(=O)C)N)OCC

InChI

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