2-[3-(5-bromanyl-2-methoxy-phenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[3-(5-bromanyl-2-methoxy-phenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[3-(5-bromo-2-methoxy-phenyl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[3-(5-bromo-2-methoxyphenyl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[3-(5-bromo-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[3-(5-bromo-2-methoxy-phenyl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O2/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-11-15(22)3-4-19(16)29-2/h3-8,11-12,18,24H,9-10,13H2,1-2H3