7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(heptylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(heptylthio)-3-methyl-xanthine Formula: C24H34N4O4S MolecularWeight: 474.61616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H34N4O4S/c1-4-6-7-8-9-14-33-24-25-21-20(22(30)26-23(31)27(21)3)28(24)15-18(29)16-32-19-12-10-17(5-2)11-13-19/h10-13,18,29H,4-9,14-16H2,1-3H3,(H,26,30,31)/t18-/m1/s1