2-[3-(2-bromanyl-4-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[3-(2-bromanyl-4-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[3-(2-bromo-4-fluoro-phenyl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[3-(2-bromo-4-fluorophenyl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[3-(2-bromo-4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[3-(2-bromo-4-fluoro-phenyl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C20H19BrFN5O MolecularWeight: 444.300163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFN5O/c1-26-19(28)11-17(13-4-6-23-7-5-13)25-20(26)27-9-8-24-18(12-27)15-3-2-14(22)10-16(15)21/h2-7,10-11,18,24H,8-9,12H2,1H3