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

Systemtic Name: 7-butyl-8-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]-1,3-dimethyl-xanthine Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H26N4O4S/c1-6-7-8-23-13-15(21(4)18(27)22(5)16(13)26)20-17(23)28-14-11(24)9-19(2,3)10-12(14)25/h24H,6-10H2,1-5H3