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

Systemtic Name: 6-(3,5-dimethylphenyl)carbonyl-1-[(3-methyl-1-oxidanidyl-pyridin-1-ium-4-yl)methyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylbenzoyl)-5-isopropyl-1-[(3-methyl-1-oxido-pyridin-1-ium-4-yl)methyl]pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)-oxomethyl]-1-[(3-methyl-1-oxido-4-pyridin-1-iumyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylbenzoyl)-1-[(3-methyl-1-oxidopyridin-1-ium-4-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzoyl)-5-isopropyl-1-[(3-methyl-1-oxido-pyridin-1-ium-4-yl)methyl]pyrimidine-2,4-quinone Formula: C23H25N3O4 MolecularWeight: 407.4623

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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=C3)[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=C3)[O-])C)C(C)C)C

InChI

InChI=1S/C23H25N3O4/c1-13(2)19-20(21(27)18-9-14(3)8-15(4)10-18)26(23(29)24-22(19)28)12-17-6-7-25(30)11-16(17)5/h6-11,13H,12H2,1-5H3,(H,24,28,29)