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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(nonylthio)xanthine Formula: C24H33ClN4O4S MolecularWeight: 509.06122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H33ClN4O4S/c1-3-4-5-6-7-8-9-14-34-24-26-21-20(22(31)27-23(32)28(21)2)29(24)15-18(30)16-33-19-12-10-17(25)11-13-19/h10-13,18,30H,3-9,14-16H2,1-2H3,(H,27,31,32)/t18-/m1/s1