(2R)-3-[6-(phenylmethylsulfanyl)purin-9-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[6-(phenylmethylsulfanyl)purin-9-yl]propane-1,2-diol Openeye Name: (2R)-3-(6-benzylsulfanylpurin-9-yl)propane-1,2-diol CAS Name: (2R)-3-[6-(phenylmethylthio)-9-purinyl]propane-1,2-diol IUPAC Name: (2R)-3-(6-benzylsulfanylpurin-9-yl)propane-1,2-diol Traditional Name: (2R)-3-[6-(benzylthio)purin-9-yl]propane-1,2-diol Formula: C15H16N4O2S MolecularWeight: 316.37814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C[C@H](CO)O

InChI

InChI=1S/C15H16N4O2S/c20-7-12(21)6-19-10-18-13-14(19)16-9-17-15(13)22-8-11-4-2-1-3-5-11/h1-5,9-10,12,20-21H,6-8H2/t12-/m1/s1