4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-[4-(4,6-dimethoxypyrimidin-2-yl)-1-piperidyl]-4-oxo-N-(4-pyridylmethyl)butanamide CAS Name: 4-[4-(4,6-dimethoxy-2-pyrimidinyl)-1-piperidinyl]-4-oxo-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidino]-4-keto-N-(4-pyridylmethyl)butyramide Formula: C21H27N5O4 MolecularWeight: 413.47018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2CCN(CC2)C(=O)CCC(=O)NCC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2CCN(CC2)C(=O)CCC(=O)NCC3=CC=NC=C3)OC

InChI

InChI=1S/C21H27N5O4/c1-29-18-13-19(30-2)25-21(24-18)16-7-11-26(12-8-16)20(28)4-3-17(27)23-14-15-5-9-22-10-6-15/h5-6,9-10,13,16H,3-4,7-8,11-12,14H2,1-2H3,(H,23,27)