2-(5-bromanylpyrimidin-2-yl)-4-methyl-phthalazin-1-one

Systemtic Name: 2-(5-bromanylpyrimidin-2-yl)-4-methyl-phthalazin-1-one Openeye Name: 2-(5-bromopyrimidin-2-yl)-4-methyl-phthalazin-1-one CAS Name: 2-(5-bromo-2-pyrimidinyl)-4-methyl-1-phthalazinone IUPAC Name: 2-(5-bromopyrimidin-2-yl)-4-methylphthalazin-1-one Traditional Name: 2-(5-bromopyrimidin-2-yl)-4-methyl-phthalazin-1-one Formula: C13H9BrN4O MolecularWeight: 317.14076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC=C(C=N3)Br

InChI

InChI=1S/C13H9BrN4O/c1-8-10-4-2-3-5-11(10)12(19)18(17-8)13-15-6-9(14)7-16-13/h2-7H,1H3