N-[9-[[1-oxidanyl-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]methanesulfonamide

Systemtic Name: N-[9-[[1-oxidanyl-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]methanesulfonamide Openeye Name: N-[9-[[2-(benzyloxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]methanesulfonamide CAS Name: N-[9-[[1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]-6-purinyl]methanesulfonamide IUPAC Name: N-[9-[[1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]methanesulfonamide Traditional Name: N-[9-[[2-(benzoxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]methanesulfonamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC=NC2=C1N=CN2CC3(CCCCC3COCC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)NC1=NC=NC2=C1N=CN2CC3(CCCCC3COCC4=CC=CC=C4)O

InChI

InChI=1S/C21H27N5O4S/c1-31(28,29)25-19-18-20(23-14-22-19)26(15-24-18)13-21(27)10-6-5-9-17(21)12-30-11-16-7-3-2-4-8-16/h2-4,7-8,14-15,17,27H,5-6,9-13H2,1H3,(H,22,23,25)