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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(decylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-decylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(decylthio)-3-methyl-xanthine Formula: C25H35ClN4O4S MolecularWeight: 523.0878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H35ClN4O4S/c1-3-4-5-6-7-8-9-10-15-35-25-27-22-21(23(32)28-24(33)29(22)2)30(25)16-19(31)17-34-20-13-11-18(26)12-14-20/h11-14,19,31H,3-10,15-17H2,1-2H3,(H,28,32,33)/t19-/m1/s1