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

Systemtic Name: 7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(octylthio)xanthine Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H36N4O4S/c1-4-6-7-8-9-10-15-34-25-26-22-21(23(31)27-24(32)28(22)3)29(25)16-19(30)17-33-20-13-11-18(5-2)12-14-20/h11-14,19,30H,4-10,15-17H2,1-3H3,(H,27,31,32)/t19-/m1/s1