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

Systemtic Name: 2-(hydroxymethyl)-5-[6-oxidanyl-6-(phenylmethyl)-8-piperidin-1-ylsulfanyl-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzyl-6-hydroxy-8-(1-piperidylsulfanyl)-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-hydroxy-6-(phenylmethyl)-8-(1-piperidinylthio)-3H-purin-9-yl]oxolane-3,4-diol IUPAC Name: 2-(6-benzyl-6-hydroxy-8-piperidin-1-ylsulfanyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-6-hydroxy-8-(piperidinothio)-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1CCN(CC1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C22H29N5O5S/c28-12-15-16(29)17(30)20(32-15)27-19-18(25-21(27)33-26-9-5-2-6-10-26)22(31,24-13-23-19)11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-17,20,28-31H,2,5-6,9-12H2,(H,23,24)