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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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