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

Systemtic Name: 8-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2,3-dihydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(glycerylthio)-3-methyl-xanthine Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-3-4-16-8-9(15(2)11(20)14-10(8)19)13-12(16)21-6-7(18)5-17/h3,7,17-18H,1,4-6H2,2H3,(H,14,19,20)