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

Systemtic Name: 2-[3-(4-bromophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[3-(4-bromophenyl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[3-(4-bromophenyl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[3-(4-bromophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[3-(4-bromophenyl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3