8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4S/c1-25-20-19(21(29)26(2)23(25)30)27(13-15-7-5-4-6-8-15)22(24-20)32-14-18(28)16-9-11-17(31-3)12-10-16/h4-12H,13-14H2,1-3H3