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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-xanthine Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)C[C@H](COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C21H22N4O5S/c1-24-18-17(19(28)23-20(24)29)25(21(22-18)31-10-9-26)11-14(27)12-30-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,26-27H,9-12H2,1H3,(H,23,28,29)/t14-/m1/s1