ditert-butyl 9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]-2-methoxy-purine-6,8-dicarboxylate

Systemtic Name: ditert-butyl 9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]-2-methoxy-purine-6,8-dicarboxylate Openeye Name: ditert-butyl 9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]-2-methoxy-purine-6,8-dicarboxylate CAS Name: 9-[1-(diethoxyphosphorylmethylthio)ethoxy]-2-methoxypurine-6,8-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]-2-methoxypurine-6,8-dicarboxylate Traditional Name: 9-[1-(diethoxyphosphorylmethylthio)ethoxy]-2-methoxy-purine-6,8-dicarboxylic acid ditert-butyl ester Formula: C23H37N4O9PS MolecularWeight: 576.600041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(C)ON1C2=NC(=NC(=C2N=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC)OCC

Isomeric SMILES

CCOP(=O)(CSC(C)ON1C2=NC(=NC(=C2N=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC)OCC

InChI

InChI=1S/C23H37N4O9PS/c1-11-32-37(30,33-12-2)13-38-14(3)36-27-17-15(24-18(27)20(29)35-23(7,8)9)16(25-21(26-17)31-10)19(28)34-22(4,5)6/h14H,11-13H2,1-10H3