5-(4-fluorophenyl)-3-methyl-2-[3-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-3-methyl-2-[3-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-(3-benzylpiperazin-1-yl)-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-3-methyl-2-[3-(phenylmethyl)-1-piperazinyl]-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-(3-benzylpiperazin-1-yl)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-(3-benzylpiperazino)-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C27H26FN5O MolecularWeight: 455.526643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N2CCNC(C2)CC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N=C1N2CCNC(C2)CC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O/c1-32-26(34)24(20-7-9-22(28)10-8-20)25(21-11-13-29-14-12-21)31-27(32)33-16-15-30-23(18-33)17-19-5-3-2-4-6-19/h2-14,23,30H,15-18H2,1H3