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

Systemtic Name: 3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-xanthine Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1C[C@H](COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H28N4O4S/c1-3-4-7-13-33-24-25-21-20(22(30)26-23(31)27(21)2)28(24)14-17(29)15-32-19-12-8-10-16-9-5-6-11-18(16)19/h5-6,8-12,17,29H,3-4,7,13-15H2,1-2H3,(H,26,30,31)/t17-/m1/s1