S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[2-adenin-9-ylethoxymethyl-[2-(pivaloylthio)ethoxy]phosphoryl]oxyethyl] ester Formula: C22H36N5O6PS2 MolecularWeight: 561.654901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N5O6PS2/c1-21(2,3)19(28)35-11-9-32-34(30,33-10-12-36-20(29)22(4,5)6)15-31-8-7-27-14-26-16-17(23)24-13-25-18(16)27/h13-14H,7-12,15H2,1-6H3,(H2,23,24,25)