[(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-(phenylmethoxymethyl)cyclobutyl] methanesulfonate

Systemtic Name: [(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-(phenylmethoxymethyl)cyclobutyl] methanesulfonate Openeye Name: [(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-(benzyloxymethyl)cyclobutyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-(phenylmethoxymethyl)cyclobutyl] ester IUPAC Name: [(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-(phenylmethoxymethyl)cyclobutyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-1-(adenin-9-ylmethyl)-2-(benzoxymethyl)cyclobutyl] ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CCC1COCC2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CS(=O)(=O)O[C@]1(CC[C@H]1COCC2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C19H23N5O4S/c1-29(25,26)28-19(11-24-13-23-16-17(20)21-12-22-18(16)24)8-7-15(19)10-27-9-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3,(H2,20,21,22)/t15-,19+/m0/s1