[5-(2-azanyl-6-methoxy-purin-9-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methanesulfonate

Systemtic Name: [5-(2-azanyl-6-methoxy-purin-9-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methanesulfonate Openeye Name: [5-(2-amino-6-methoxy-purin-9-yl)-2-(methoxycarbonyloxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-(2-amino-6-methoxy-9-purinyl)-2-(methoxycarbonyloxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-methoxypurin-9-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-(2-amino-6-methoxy-purin-9-yl)-2-(carbomethoxyoxymethyl)tetrahydrofuran-3-yl] ester Formula: C14H19N5O8S MolecularWeight: 417.39436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3CC(C(O3)COC(=O)OC)OS(=O)(=O)C)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3CC(C(O3)COC(=O)OC)OS(=O)(=O)C)N

InChI

InChI=1S/C14H19N5O8S/c1-23-12-10-11(17-13(15)18-12)19(6-16-10)9-4-7(27-28(3,21)22)8(26-9)5-25-14(20)24-2/h6-9H,4-5H2,1-3H3,(H2,15,17,18)