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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H27FN4O/c1-15-12-18(24-20(23-15)16-6-5-7-17(22)13-16)25-8-10-26(11-9-25)19(27)14-21(2,3)4/h5-7,12-13H,8-11,14H2,1-4H3