3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl methanesulfonate

Systemtic Name: 3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl methanesulfonate Openeye Name: [2-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-1-methyl-octyl] methanesulfonate CAS Name: methanesulfonic acid 3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)nonan-2-yl ester IUPAC Name: 3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)nonan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-(2-cyclohexyl-6-keto-3H-purin-9-yl)-1-methyl-octyl] ester Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OS(=O)(=O)C)N1C=NC2=C1NC(=NC2=O)C3CCCCC3

Isomeric SMILES

CCCCCCC(C(C)OS(=O)(=O)C)N1C=NC2=C1NC(=NC2=O)C3CCCCC3

InChI

InChI=1S/C21H34N4O4S/c1-4-5-6-10-13-17(15(2)29-30(3,27)28)25-14-22-18-20(25)23-19(24-21(18)26)16-11-8-7-9-12-16/h14-17H,4-13H2,1-3H3,(H,23,24,26)