1-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-(2-methylphenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-2-(phenylthio)ethanone Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)CSC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)CSC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H28N4OS/c1-21-8-5-6-12-25(21)26-19-31-29(23-9-7-15-30-18-23)32-28(26)22-13-16-33(17-14-22)27(34)20-35-24-10-3-2-4-11-24/h2-12,15,18-19,22H,13-14,16-17,20H2,1H3