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

Systemtic Name: 3-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(1-naphthyloxy)propyl]-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(1-naphthoxy)propyl]-8-(isopropylthio)-3-methyl-xanthine Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-13(2)31-22-23-19-18(20(28)24-21(29)25(19)3)26(22)11-15(27)12-30-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,27H,11-12H2,1-3H3,(H,24,28,29)