3-methyl-8-nonylsulfanyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-nonylsulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(nonylthio)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-nonylsulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-(nonylthio)xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-12-25-18-19-15-14(22(18)13(2)3)16(23)20-17(24)21(15)4/h13H,5-12H2,1-4H3,(H,20,23,24)