[(2R,3S,5R)-2-(aminocarbonyloxymethyl)-5-(6-aminopurin-9-yl)oxolan-3-yl] methanesulfonate

Systemtic Name: [(2R,3S,5R)-2-(aminocarbonyloxymethyl)-5-(6-aminopurin-9-yl)oxolan-3-yl] methanesulfonate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(carbamoyloxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(carbamoyloxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(carbamoyloxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3S,5R)-5-adenin-9-yl-2-(carbamoyloxymethyl)tetrahydrofuran-3-yl] ester Formula: C12H16N6O6S MolecularWeight: 372.35704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(OC1COC(=O)N)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CS(=O)(=O)O[C@H]1C[C@@H](O[C@@H]1COC(=O)N)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H16N6O6S/c1-25(20,21)24-6-2-8(23-7(6)3-22-12(14)19)18-5-17-9-10(13)15-4-16-11(9)18/h4-8H,2-3H2,1H3,(H2,14,19)(H2,13,15,16)/t6-,7+,8+/m0/s1