1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]pentan-1-one Formula: C21H27FN4O MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)F

InChI

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