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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H22N4O4S/c1-20-15-14(16(24)21(2)18(20)25)22(17(19-15)27-11-10-23)9-8-12-4-6-13(26-3)7-5-12/h4-7,23H,8-11H2,1-3H3