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

Systemtic Name: 2-(hydroxymethyl)-5-[2-(methylamino)-6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[2-(methylamino)-6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-2-(methylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4C(C(C(O4)CO)O)O

Isomeric SMILES

CNC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H21N5O4S/c1-19-18-21-15-12(16(22-18)28-8-10-5-3-2-4-6-10)20-9-23(15)17-14(26)13(25)11(7-24)27-17/h2-6,9,11,13-14,17,24-26H,7-8H2,1H3,(H,19,21,22)