1-[(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 1-[(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylbenzoyl)-1-[(3,5-dimethyl-1-oxido-pyridin-1-ium-4-yl)methyl]-5-isopropyl-pyrimidine-2,4-dione CAS Name: 1-[(3,5-dimethyl-1-oxido-4-pyridin-1-iumyl)methyl]-6-[(3,5-dimethylphenyl)-oxomethyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylbenzoyl)-1-[(3,5-dimethyl-1-oxidopyridin-1-ium-4-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzoyl)-1-[(3,5-dimethyl-1-oxido-pyridin-1-ium-4-yl)methyl]-5-isopropyl-pyrimidine-2,4-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=C(C=[N+](C=C3C)[O-])C)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=C(C=[N+](C=C3C)[O-])C)C(C)C)C

InChI

InChI=1S/C24H27N3O4/c1-13(2)20-21(22(28)18-8-14(3)7-15(4)9-18)27(24(30)25-23(20)29)12-19-16(5)10-26(31)11-17(19)6/h7-11,13H,12H2,1-6H3,(H,25,29,30)