8-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]-1,3,7-trimethyl-xanthine Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)O)C

InChI

InChI=1S/C16H20N4O4S/c1-16(2)6-8(21)11(9(22)7-16)25-14-17-12-10(18(14)3)13(23)20(5)15(24)19(12)4/h21H,6-7H2,1-5H3