8-hexadecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-hexadecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-hexadecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(hexadecylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-hexadecylsulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(cetylthio)-3-methyl-7-propyl-xanthine Formula: C25H44N4O2S MolecularWeight: 464.70746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H44N4O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-32-25-26-22-21(29(25)19-5-2)23(30)27-24(31)28(22)3/h4-20H2,1-3H3,(H,27,30,31)