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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-xanthine Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C17H20N4O5S/c1-20-14-13(15(24)19-16(20)25)21(17(18-14)27-8-7-22)9-11(23)10-26-12-5-3-2-4-6-12/h2-6,11,22-23H,7-10H2,1H3,(H,19,24,25)/t11-/m1/s1