2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[3-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[3-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[3-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]-N-(2-thenyl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NCC2=CC=CS2)C3=NC=NC=C3C4=CC=NC=C4

Isomeric SMILES

C1CC(CN(C1)CC(=O)NCC2=CC=CS2)C3=NC=NC=C3C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(24-11-18-4-2-10-28-18)14-26-9-1-3-17(13-26)21-19(12-23-15-25-21)16-5-7-22-8-6-16/h2,4-8,10,12,15,17H,1,3,9,11,13-14H2,(H,24,27)