8-(2-hydroxyethylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C11H16N4O4S MolecularWeight: 300.33414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCOC

InChI

InChI=1S/C11H16N4O4S/c1-14-8-7(9(17)13-10(14)18)15(3-5-19-2)11(12-8)20-6-4-16/h16H,3-6H2,1-2H3,(H,13,17,18)