8-hexylsulfanyl-9-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 8-hexylsulfanyl-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-hexylsulfanyl-3H-purin-6-one CAS Name: 8-(hexylthio)-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 9-benzyl-8-hexylsulfanyl-3H-purin-6-one Traditional Name: 9-benzyl-8-(hexylthio)-3H-purin-6-one Formula: C18H22N4OS MolecularWeight: 342.45848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)NC=NC2=O

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)NC=NC2=O

InChI

InChI=1S/C18H22N4OS/c1-2-3-4-8-11-24-18-21-15-16(19-13-20-17(15)23)22(18)12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,19,20,23)