[5-(2-azanyl-6-methoxy-purin-9-yl)-2-(methoxycarbonyloxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate

Systemtic Name: [5-(2-azanyl-6-methoxy-purin-9-yl)-2-(methoxycarbonyloxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate Openeye Name: [5-(2-amino-6-methoxy-purin-9-yl)-4-hydroxy-2-(methoxycarbonyloxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-(2-amino-6-methoxy-9-purinyl)-4-hydroxy-2-(methoxycarbonyloxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-(2-amino-6-methoxy-purin-9-yl)-2-(carbomethoxyoxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C14H19N5O9S MolecularWeight: 433.39376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)OC)OS(=O)(=O)C)O)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)OC)OS(=O)(=O)C)O)N

InChI

InChI=1S/C14H19N5O9S/c1-24-11-7-10(17-13(15)18-11)19(5-16-7)12-8(20)9(28-29(3,22)23)6(27-12)4-26-14(21)25-2/h5-6,8-9,12,20H,4H2,1-3H3,(H2,15,17,18)