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

Systemtic Name: 1,3-dimethyl-8-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[[2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C)C

InChI

InChI=1S/C22H28N4O3S/c1-11(2)26-18-19(24(7)22(29)25(8)20(18)28)23-21(26)30-10-16(27)17-14(5)12(3)9-13(4)15(17)6/h9,11H,10H2,1-8H3