2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-8-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-4-methyl-1-phthalazinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methylphthalazin-1-one Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one Formula: C22H18BrFN4O4 MolecularWeight: 501.305123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1C=CC=C2OC3=NC(=CC(=N3)OC)OC)CC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=NN(C(=O)C2=C1C=CC=C2OC3=NC(=CC(=N3)OC)OC)CC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H18BrFN4O4/c1-12-15-5-4-6-17(32-22-25-18(30-2)10-19(26-22)31-3)20(15)21(29)28(27-12)11-13-7-8-14(23)9-16(13)24/h4-10H,11H2,1-3H3