2-[[2-(2-hydroxyethylsulfanyl)-7H-purin-6-yl]sulfanyl]ethanol

Systemtic Name: 2-[[2-(2-hydroxyethylsulfanyl)-7H-purin-6-yl]sulfanyl]ethanol Openeye Name: 2-[[2-(2-hydroxyethylsulfanyl)-7H-purin-6-yl]sulfanyl]ethanol CAS Name: 2-[[2-(2-hydroxyethylthio)-7H-purin-6-yl]thio]ethanol IUPAC Name: 2-[[2-(2-hydroxyethylsulfanyl)-7H-purin-6-yl]sulfanyl]ethanol Traditional Name: 2-[[2-(2-hydroxyethylthio)-7H-purin-6-yl]thio]ethanol Formula: C9H12N4O2S2 MolecularWeight: 272.34718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)SCCO)SCCO

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)SCCO)SCCO

InChI

InChI=1S/C9H12N4O2S2/c14-1-3-16-8-6-7(11-5-10-6)12-9(13-8)17-4-2-15/h5,14-15H,1-4H2,(H,10,11,12,13)