8-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[(2-keto-2-p-phenetyl-ethyl)thio]-1,3-dimethyl-xanthine Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N4O4S/c1-6-28-14-9-7-13(8-10-14)15(25)11-29-19-21-17-16(24(19)12(2)3)18(26)23(5)20(27)22(17)4/h7-10,12H,6,11H2,1-5H3