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

Systemtic Name: 3-methyl-8-methylsulfanyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(methylthio)xanthine Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C16H18N4O4S/c1-19-13-12(14(22)18-15(19)23)20(16(17-13)25-2)8-10(21)9-24-11-6-4-3-5-7-11/h3-7,10,21H,8-9H2,1-2H3,(H,18,22,23)