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

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(isobutylthio)-3-methyl-xanthine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O4S/c1-12(2)11-28-19-20-16-15(17(25)21-18(26)22(16)3)23(19)9-13(24)10-27-14-7-5-4-6-8-14/h4-8,12-13,24H,9-11H2,1-3H3,(H,21,25,26)