8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-[3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[3-(p-tolylthio)propyl]xanthine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C23H31N5O2S/c1-15-6-8-18(9-7-15)31-11-5-10-28-19-20(26(4)23(30)25-21(19)29)24-22(28)27-13-16(2)12-17(3)14-27/h6-9,16-17H,5,10-14H2,1-4H3,(H,25,29,30)