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

Systemtic Name: 7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-8-hexylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-hexylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(hexylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(hexylthio)-3-methyl-xanthine Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H32N4O4S/c1-4-6-7-8-13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)14-17(28)15-31-18-11-9-16(5-2)10-12-18/h9-12,17,28H,4-8,13-15H2,1-3H3,(H,25,29,30)/t17-/m1/s1