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

Systemtic Name: 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-[3-(phenylthio)propyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[4-[3-(phenylthio)propyl]piperazino]propyl]xanthine Formula: C23H32N6O2S MolecularWeight: 456.60418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H32N6O2S/c1-25-21-20(22(30)26(2)23(25)31)29(18-24-21)12-6-10-27-13-15-28(16-14-27)11-7-17-32-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3