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

Systemtic Name: 3-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-[2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-xanthine Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S/c1-13(27)12-32-22-23-19-18(20(29)24-21(30)25(19)2)26(22)10-15(28)11-31-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,28H,10-12H2,1-2H3,(H,24,29,30)