S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2-methylpropanethioate

Systemtic Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2-methylpropanethioate Openeye Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-[(2-methyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-[2-adenin-9-ylethoxymethyl-[2-(isobutyrylthio)ethoxy]phosphoryl]oxyethyl] ester Formula: C20H32N5O6PS2 MolecularWeight: 533.601741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCCSC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)SCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCCSC(=O)C(C)C

InChI

InChI=1S/C20H32N5O6PS2/c1-14(2)19(26)33-9-7-30-32(28,31-8-10-34-20(27)15(3)4)13-29-6-5-25-12-24-16-17(21)22-11-23-18(16)25/h11-12,14-15H,5-10,13H2,1-4H3,(H2,21,22,23)