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

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24N4O4S/c1-5-28-18-20-16-15(17(25)22(4)19(26)21(16)3)23(18)10-13(24)11-27-14-8-6-12(2)7-9-14/h6-9,13,24H,5,10-11H2,1-4H3/t13-/m0/s1