3-methyl-8-(3-methylbutylsulfanyl)-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H28N4O4S/c1-15(2)11-12-33-24-25-21-20(22(30)26-23(31)27(21)3)28(24)13-17(29)14-32-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,29H,11-14H2,1-3H3,(H,26,30,31)