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

Systemtic Name: 8-[2,3-bis(oxidanyl)propylsulfanyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2,3-dihydroxypropylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylsulfanyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(glycerylthio)-1,3-dimethyl-xanthine Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(CO)O)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(CO)O)CC=C

InChI

InChI=1S/C13H18N4O4S/c1-4-5-17-9-10(14-12(17)22-7-8(19)6-18)15(2)13(21)16(3)11(9)20/h4,8,18-19H,1,5-7H2,2-3H3