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

Systemtic Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[6-ethyl-5-(4-fluorobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-2-methyl-propan-1-one Formula: C27H31FN4O MolecularWeight: 446.559643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C(C)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C(C)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O/c1-4-24-23(18-20-10-12-22(28)13-11-20)26(30-25(29-24)21-8-6-5-7-9-21)31-14-16-32(17-15-31)27(33)19(2)3/h5-13,19H,4,14-18H2,1-3H3