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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1C[C@H](COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H26N4O4S/c1-14(2)13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)11-16(28)12-31-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,28H,11-13H2,1-3H3,(H,25,29,30)/t16-/m1/s1