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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(2-hydroxy-3-phenylsulfanyl-propyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-[2-hydroxy-3-(phenylthio)propyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-[2-hydroxy-3-(phenylthio)propyl]piperazino]propyl]-1,3-dimethyl-xanthine Formula: C23H32N6O4S MolecularWeight: 488.60298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC(CSC4=CC=CC=C4)O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC(CSC4=CC=CC=C4)O)O

InChI

InChI=1S/C23H32N6O4S/c1-25-21-20(22(32)26(2)23(25)33)29(16-24-21)14-17(30)12-27-8-10-28(11-9-27)13-18(31)15-34-19-6-4-3-5-7-19/h3-7,16-18,30-31H,8-15H2,1-2H3