3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(phenethylthio)xanthine Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C23H24N4O4S/c1-26-20-19(21(29)25-22(26)30)27(14-17(28)15-31-18-10-6-3-7-11-18)23(24-20)32-13-12-16-8-4-2-5-9-16/h2-11,17,28H,12-15H2,1H3,(H,25,29,30)