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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-[4-(phenylthio)butyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-[4-(phenylthio)butyl]piperazino]propyl]-1,3-dimethyl-xanthine Formula: C24H34N6O3S MolecularWeight: 486.63016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCCSC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCCSC4=CC=CC=C4)O

InChI

InChI=1S/C24H34N6O3S/c1-26-22-21(23(32)27(2)24(26)33)30(18-25-22)17-19(31)16-29-13-11-28(12-14-29)10-6-7-15-34-20-8-4-3-5-9-20/h3-5,8-9,18-19,31H,6-7,10-17H2,1-2H3