8-[2,3-bis(oxidanyl)propylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2,3-bis(oxidanyl)propylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(2,3-dihydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(glycerylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C12H18N4O5S MolecularWeight: 330.36012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CCOC

InChI

InChI=1S/C12H18N4O5S/c1-15-9-8(10(19)14-11(15)20)16(3-4-21-2)12(13-9)22-6-7(18)5-17/h7,17-18H,3-6H2,1-2H3,(H,14,19,20)