8-butylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-ethyl-3-methyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H18N4O2S/c1-4-6-7-19-12-13-9-8(16(12)5-2)10(17)14-11(18)15(9)3/h4-7H2,1-3H3,(H,14,17,18)