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

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-methylpropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-methyl-propyl]-3-methyl-xanthine Formula: C23H33N7O2S MolecularWeight: 471.61882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C23H33N7O2S/c1-13-7-14(2)10-29(9-13)22-26-19-18(20(31)27-23(32)28(19)6)30(22)11-15(3)12-33-21-24-16(4)8-17(5)25-21/h8,13-15H,7,9-12H2,1-6H3,(H,27,31,32)