3-methyl-8-octylsulfanyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-octylsulfanyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(octylthio)xanthine Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H32N4O4S/c1-3-4-5-6-7-11-14-32-23-24-20-19(21(29)25-22(30)26(20)2)27(23)15-17(28)16-31-18-12-9-8-10-13-18/h8-10,12-13,17,28H,3-7,11,14-16H2,1-2H3,(H,25,29,30)/t17-/m1/s1