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

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(isopropylthio)-3-methyl-xanthine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

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