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

Systemtic Name: 2-(hydroxymethyl)-5-[6-oxidanyl-6-(phenylmethyl)-8-pyrrolidin-1-ylsulfanyl-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(6-benzyl-6-hydroxy-8-pyrrolidin-1-ylsulfanyl-3H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-hydroxy-6-(phenylmethyl)-8-(1-pyrrolidinylthio)-3H-purin-9-yl]oxolane-3,4-diol IUPAC Name: 2-(6-benzyl-6-hydroxy-8-pyrrolidin-1-ylsulfanyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-6-hydroxy-8-(pyrrolidinothio)-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1CCN(C1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C21H27N5O5S/c27-11-14-15(28)16(29)19(31-14)26-18-17(24-20(26)32-25-8-4-5-9-25)21(30,23-12-22-18)10-13-6-2-1-3-7-13/h1-3,6-7,12,14-16,19,27-30H,4-5,8-11H2,(H,22,23)