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

Systemtic Name: 1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-2-(phenylthio)ethanone Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C28H26N4OS/c33-26(20-34-24-11-5-2-6-12-24)32-16-13-22(14-17-32)27-25(21-8-3-1-4-9-21)19-30-28(31-27)23-10-7-15-29-18-23/h1-12,15,18-19,22H,13-14,16-17,20H2