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

Systemtic Name: 3-methyl-7-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propylthio)xanthine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C[C@H](COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O4S/c1-4-9-28-19-20-16-15(17(25)21-18(26)22(16)3)23(19)10-13(24)11-27-14-8-6-5-7-12(14)2/h5-8,13,24H,4,9-11H2,1-3H3,(H,21,25,26)/t13-/m1/s1