1,3,7-trimethyl-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(nonylthio)xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-12-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-12H2,1-4H3