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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC(=CC=C3)OC)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC(=CC=C3)OC)N(C1=O)C

InChI

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