1,3-dimethyl-7-[3-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-[4-(2-hydroxy-3-phenylsulfanyl-propyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[2-hydroxy-3-(phenylthio)propyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-[2-hydroxy-3-(phenylthio)propyl]piperazino]propyl]-1,3-dimethyl-xanthine Formula: C23H32N6O3S MolecularWeight: 472.60358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC(CSC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC(CSC4=CC=CC=C4)O

InChI

InChI=1S/C23H32N6O3S/c1-25-21-20(22(31)26(2)23(25)32)29(17-24-21)10-6-9-27-11-13-28(14-12-27)15-18(30)16-33-19-7-4-3-5-8-19/h3-5,7-8,17-18,30H,6,9-16H2,1-2H3