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

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanyl-propyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-[2-methyl-3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[2-methyl-3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[2-methyl-3-(p-tolylthio)propyl]xanthine Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C24H33N5O2S/c1-15-6-8-19(9-7-15)32-14-18(4)13-29-20-21(27(5)24(31)26-22(20)30)25-23(29)28-11-16(2)10-17(3)12-28/h6-9,16-18H,10-14H2,1-5H3,(H,26,30,31)