7-butyl-1,3-dimethyl-8-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)C3=C(C(=CC(=C3C)C)C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)C3=C(C(=CC(=C3C)C)C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H30N4O3S/c1-8-9-10-27-19-20(25(6)23(30)26(7)21(19)29)24-22(27)31-12-17(28)18-15(4)13(2)11-14(3)16(18)5/h11H,8-10,12H2,1-7H3