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

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylthio)xanthine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2SC)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C18H22N4O4S/c1-11-5-7-13(8-6-11)26-10-12(23)9-22-14-15(19-17(22)27-4)20(2)18(25)21(3)16(14)24/h5-8,12,23H,9-10H2,1-4H3/t12-/m0/s1