2-(hydroxymethyl)-5-[6-oxidanyl-6-(phenylmethylsulfanyl)-3H-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-oxidanyl-6-(phenylmethylsulfanyl)-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(6-benzylsulfanyl-6-hydroxy-3H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-hydroxy-6-(phenylmethylthio)-3H-purin-9-yl]oxolane-3,4-diol IUPAC Name: 2-(6-benzylsulfanyl-6-hydroxy-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-6-hydroxy-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2(C3=C(NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2(C3=C(NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C17H20N4O5S/c22-6-11-12(23)13(24)16(26-11)21-9-19-14-15(21)18-8-20-17(14,25)27-7-10-4-2-1-3-5-10/h1-5,8-9,11-13,16,22-25H,6-7H2,(H,18,20)