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

Systemtic Name: 1,3-dimethyl-7-[3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-[4-(phenylthio)butyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(4-phenylsulfanylbutyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[4-[4-(phenylthio)butyl]piperazino]propyl]xanthine Formula: C24H34N6O2S MolecularWeight: 470.63076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCCSC4=CC=CC=C4

InChI

InChI=1S/C24H34N6O2S/c1-26-22-21(23(31)27(2)24(26)32)30(19-25-22)13-8-12-29-16-14-28(15-17-29)11-6-7-18-33-20-9-4-3-5-10-20/h3-5,9-10,19H,6-8,11-18H2,1-2H3