2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)-8-piperidin-1-yl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)-8-piperidin-1-yl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(1-piperidyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(phenylmethylthio)-8-(1-piperidinyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(6-benzylsulfanyl-8-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-piperidino-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C22H27N5O4S/c28-11-15-17(29)18(30)21(31-15)27-19-16(25-22(27)26-9-5-2-6-10-26)20(24-13-23-19)32-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,17-18,21,28-30H,2,5-6,9-12H2