1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3OS/c1-14-9-15(2)12-23(11-14)19(24)13-25-20-21-16(3)10-18(22-20)17-7-5-4-6-8-17/h4-8,10,14-15H,9,11-13H2,1-3H3/t14-,15-/m1/s1