[5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(phenylmethoxymethyl)oxolan-3-yl] methanesulfonate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(phenylmethoxymethyl)oxolan-3-yl] methanesulfonate Openeye Name: [5-(6-aminopurin-9-yl)-2-(benzyloxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(phenylmethoxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-adenin-9-yl-2-(benzoxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] ester Formula: C19H23N5O8S2 MolecularWeight: 513.54462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(OC(C1OS(=O)(=O)C)N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1C(OC(C1OS(=O)(=O)C)N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O8S2/c1-33(25,26)31-15-13(9-29-8-12-6-4-3-5-7-12)30-19(16(15)32-34(2,27)28)24-11-23-14-17(20)21-10-22-18(14)24/h3-7,10-11,13,15-16,19H,8-9H2,1-2H3,(H2,20,21,22)