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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(N1C[C@H](COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H26N4O4S/c1-4-14(2)32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)12-16(28)13-31-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16,28H,4,12-13H2,1-3H3,(H,25,29,30)/t14-,16+/m0/s1