1-[[2-(phenylmethylsulfanyl)-7H-purin-6-yl]amino]propan-2-ol

Systemtic Name: 1-[[2-(phenylmethylsulfanyl)-7H-purin-6-yl]amino]propan-2-ol Openeye Name: 1-[(2-benzylsulfanyl-7H-purin-6-yl)amino]propan-2-ol CAS Name: 1-[[2-(phenylmethylthio)-7H-purin-6-yl]amino]-2-propanol IUPAC Name: 1-[(2-benzylsulfanyl-7H-purin-6-yl)amino]propan-2-ol Traditional Name: 1-[[2-(benzylthio)-7H-purin-6-yl]amino]propan-2-ol Formula: C15H17N5OS MolecularWeight: 315.39338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC2=C1NC=N2)SCC3=CC=CC=C3)O

Isomeric SMILES

CC(CNC1=NC(=NC2=C1NC=N2)SCC3=CC=CC=C3)O

InChI

InChI=1S/C15H17N5OS/c1-10(21)7-16-13-12-14(18-9-17-12)20-15(19-13)22-8-11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H2,16,17,18,19,20)