[3-methyl-2-(6-oxidanylidene-3H-purin-9-yl)butyl] methanesulfonate

Systemtic Name: [3-methyl-2-(6-oxidanylidene-3H-purin-9-yl)butyl] methanesulfonate Openeye Name: [3-methyl-2-(6-oxo-3H-purin-9-yl)butyl] methanesulfonate CAS Name: methanesulfonic acid [3-methyl-2-(6-oxo-3H-purin-9-yl)butyl] ester IUPAC Name: [3-methyl-2-(6-oxo-3H-purin-9-yl)butyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(6-keto-3H-purin-9-yl)-3-methyl-butyl] ester Formula: C11H16N4O4S MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COS(=O)(=O)C)N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CC(C)C(COS(=O)(=O)C)N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C11H16N4O4S/c1-7(2)8(4-19-20(3,17)18)15-6-14-9-10(15)12-5-13-11(9)16/h5-8H,4H2,1-3H3,(H,12,13,16)