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

Systemtic Name: 7-ethyl-8-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O4S/c1-5-22-14-15(20(2)18(25)21(3)16(14)24)19-17(22)27-10-13(23)11-7-6-8-12(9-11)26-4/h6-9H,5,10H2,1-4H3