2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazin-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazin-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]piperazin-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazino]-1-morpholino-ethanone Formula: C23H31N5O4 MolecularWeight: 441.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4)OC

InChI

InChI=1S/C23H31N5O4/c1-30-19-16-20(31-2)25-23(24-19)22(18-6-4-3-5-7-18)28-10-8-26(9-11-28)17-21(29)27-12-14-32-15-13-27/h3-7,16,22H,8-15,17H2,1-2H3