1-(3,5-dimethylpiperidin-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(4,6-diphenylpyrimidin-2-yl)thio]ethanone Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3OS/c1-18-13-19(2)16-28(15-18)24(29)17-30-25-26-22(20-9-5-3-6-10-20)14-23(27-25)21-11-7-4-8-12-21/h3-12,14,18-19H,13,15-17H2,1-2H3