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

Systemtic Name: 3-methyl-8-nonylsulfanyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(nonylthio)xanthine Formula: C24H34N4O4S MolecularWeight: 474.61616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H34N4O4S/c1-3-4-5-6-7-8-12-15-33-24-25-21-20(22(30)26-23(31)27(21)2)28(24)16-18(29)17-32-19-13-10-9-11-14-19/h9-11,13-14,18,29H,3-8,12,15-17H2,1-2H3,(H,26,30,31)