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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]hexan-1-one Formula: C22H29FN4O MolecularWeight: 384.490263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O/c1-4-5-6-10-20(28)26-11-13-27(14-12-26)22-16(2)17(3)24-21(25-22)18-8-7-9-19(23)15-18/h7-9,15H,4-6,10-14H2,1-3H3