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

Systemtic Name: 8-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(2,3-dihydroxypropylsulfanyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(glycerylthio)-7-isoamyl-3-methyl-xanthine Formula: C14H22N4O4S MolecularWeight: 342.41388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(CO)O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(CO)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O4S/c1-8(2)4-5-18-10-11(17(3)13(22)16-12(10)21)15-14(18)23-7-9(20)6-19/h8-9,19-20H,4-7H2,1-3H3,(H,16,21,22)