8-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-ethanoyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-ethanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-acetyl-8-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-acetyl-8-[(3,3-dimethyl-2-oxobutyl)thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-acetyl-8-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-acetyl-8-[(2-keto-3,3-dimethyl-butyl)thio]-1,3-dimethyl-xanthine Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(N=C1SCC(=O)C(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)N1C2=C(N=C1SCC(=O)C(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H20N4O4S/c1-8(20)19-10-11(17(5)14(23)18(6)12(10)22)16-13(19)24-7-9(21)15(2,3)4/h7H2,1-6H3