1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]butan-1-one Formula: C21H27FN4O MolecularWeight: 370.463683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O/c1-4-7-19(27)25-10-12-26(13-11-25)21-18(5-2)15(3)23-20(24-21)16-8-6-9-17(22)14-16/h6,8-9,14H,4-5,7,10-13H2,1-3H3