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

Systemtic Name: 1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-2-(3-thienyl)ethanone Formula: C26H24N4OS MolecularWeight: 440.55996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C26H24N4OS/c31-24(15-19-10-14-32-18-19)30-12-8-21(9-13-30)25-23(20-5-2-1-3-6-20)17-28-26(29-25)22-7-4-11-27-16-22/h1-7,10-11,14,16-18,21H,8-9,12-13,15H2