[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Systemtic Name: [4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Openeye Name: [4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone CAS Name: [4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone IUPAC Name: [4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Traditional Name: [4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-(4,5,6,7-tetrahydroisobenzothiophen-1-yl)methanone Formula: C29H28N4OS MolecularWeight: 480.62382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(SC=C2C1)C(=O)N3CCC(CC3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1CCC2=C(SC=C2C1)C(=O)N3CCC(CC3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C29H28N4OS/c34-29(27-24-11-5-4-9-23(24)19-35-27)33-15-12-21(13-16-33)26-25(20-7-2-1-3-8-20)18-31-28(32-26)22-10-6-14-30-17-22/h1-3,6-8,10,14,17-19,21H,4-5,9,11-13,15-16H2