8-[2,3-bis(oxidanyl)propylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[2,3-bis(oxidanyl)propylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(2,3-dihydroxypropylsulfanyl)-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylthio)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(glycerylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(CO)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(CO)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20N4O4S/c1-8(2)5-18-10-11(15-13(18)23-7-9(20)6-19)16(3)14(22)17(4)12(10)21/h9,19-20H,1,5-7H2,2-4H3