8-butylsulfanyl-3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-xanthine Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1C[C@H](COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H26N4O4S/c1-3-4-12-32-23-24-20-19(21(29)25-22(30)26(20)2)27(23)13-16(28)14-31-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16,28H,3-4,12-14H2,1-2H3,(H,25,29,30)/t16-/m1/s1