2-(4-methylpyrimidin-2-yl)sulfanyl-1-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[hydroxy(diphenyl)methyl]piperidino]-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C25H27N3O2S/c1-19-12-15-26-24(27-19)31-18-23(29)28-16-13-22(14-17-28)25(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,15,22,30H,13-14,16-18H2,1H3