4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H15BrN6O2/c18-11-9-19-17(20-10-11)24-7-5-23(6-8-24)16(26)14-12-3-1-2-4-13(12)15(25)22-21-14/h1-4,9-10H,5-8H2,(H,22,25)