7-(2-ethoxyethyl)-8-ethylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-ethylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-(ethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-(ethylthio)-3-methyl-xanthine Formula: C12H18N4O3S MolecularWeight: 298.36132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O3S/c1-4-19-7-6-16-8-9(13-12(16)20-5-2)15(3)11(18)14-10(8)17/h4-7H2,1-3H3,(H,14,17,18)