4,5-bis(bromanyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 4,5-bis(bromanyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 4,5-dibromo-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 4,5-dibromo-2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 4,5-dibromo-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 4,5-dibromo-2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]pyridazin-3-one Formula: C14H14Br2N6O2 MolecularWeight: 458.10796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C(=C(C=N3)Br)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C(=C(C=N3)Br)Br

InChI

InChI=1S/C14H14Br2N6O2/c15-10-8-19-22(13(24)12(10)16)9-11(23)20-4-6-21(7-5-20)14-17-2-1-3-18-14/h1-3,8H,4-7,9H2