8-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-(1-acetyl-2-oxo-propyl)sulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(2,4-dioxopentan-3-ylthio)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-(2,4-dioxopentan-3-ylsulfanyl)-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[(1-acetyl-2-keto-propyl)thio]-1,3,9-trimethyl-xanthine Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H16N4O4S/c1-6(18)9(7(2)19)22-12-14-8-10(15(12)3)16(4)13(21)17(5)11(8)20/h9H,1-5H3