2-[(3-bromophenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one

Systemtic Name: 2-[(3-bromophenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one Openeye Name: 2-[(3-bromophenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one CAS Name: 2-[(3-bromophenyl)methyl]-8-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-4-methyl-1-phthalazinone IUPAC Name: 2-[(3-bromophenyl)methyl]-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methylphthalazin-1-one Traditional Name: 2-(3-bromobenzyl)-8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-phthalazin-1-one Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O4/c1-13-16-8-5-9-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-6-4-7-15(23)10-14/h4-11H,12H2,1-3H3