1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylthio)xanthine Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26N4O4S/c1-5-10-29-19-21-17-16(18(26)23(4)20(27)22(17)3)24(19)11-14(25)12-28-15-8-6-13(2)7-9-15/h6-9,14,25H,5,10-12H2,1-4H3/t14-/m0/s1