8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(5-methyl-2-nitro-phenyl)methyl]phthalazin-1-one

Systemtic Name: 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(5-methyl-2-nitro-phenyl)methyl]phthalazin-1-one Openeye Name: 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(5-methyl-2-nitro-phenyl)methyl]phthalazin-1-one CAS Name: 8-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-4-methyl-2-[(5-methyl-2-nitrophenyl)methyl]-1-phthalazinone IUPAC Name: 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(5-methyl-2-nitrophenyl)methyl]phthalazin-1-one Traditional Name: 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-(5-methyl-2-nitro-benzyl)phthalazin-1-one Formula: C23H21N5O6 MolecularWeight: 463.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CN2C(=O)C3=C(C=CC=C3OC4=NC(=CC(=N4)OC)OC)C(=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CN2C(=O)C3=C(C=CC=C3OC4=NC(=CC(=N4)OC)OC)C(=N2)C

InChI

InChI=1S/C23H21N5O6/c1-13-8-9-17(28(30)31)15(10-13)12-27-22(29)21-16(14(2)26-27)6-5-7-18(21)34-23-24-19(32-3)11-20(25-23)33-4/h5-11H,12H2,1-4H3