1-[(6-bromanylpyridin-2-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 1-[(6-bromanylpyridin-2-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-[(6-bromo-2-pyridyl)methyl]-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione CAS Name: 1-[(6-bromo-2-pyridinyl)methyl]-6-[(3,5-dimethylphenyl)-oxomethyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-[(6-bromopyridin-2-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-[(6-bromo-2-pyridyl)methyl]-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-quinone Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=NC(=CC=C3)Br)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=NC(=CC=C3)Br)C(C)C)C

InChI

InChI=1S/C22H22BrN3O3/c1-12(2)18-19(20(27)15-9-13(3)8-14(4)10-15)26(22(29)25-21(18)28)11-16-6-5-7-17(23)24-16/h5-10,12H,11H2,1-4H3,(H,25,28,29)