[5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate

Systemtic Name: [5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate Openeye Name: [5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H23N5O9S2 MolecularWeight: 493.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C16H23N5O9S2/c1-8(2)14(22)19-16-18-13-12(15(23)20-16)17-7-21(13)11-5-9(30-32(4,26)27)10(29-11)6-28-31(3,24)25/h7-11H,5-6H2,1-4H3,(H2,18,19,20,22,23)