6-(3-methyl-5-nitro-phenyl)carbonyl-1-[(2-methylpyridin-4-yl)methyl]-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 6-(3-methyl-5-nitro-phenyl)carbonyl-1-[(2-methylpyridin-4-yl)methyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 5-isopropyl-6-(3-methyl-5-nitro-benzoyl)-1-[(2-methyl-4-pyridyl)methyl]pyrimidine-2,4-dione CAS Name: 6-[(3-methyl-5-nitrophenyl)-oxomethyl]-1-[(2-methyl-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3-methyl-5-nitrobenzoyl)-1-[(2-methylpyridin-4-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 5-isopropyl-6-(3-methyl-5-nitro-benzoyl)-1-[(2-methyl-4-pyridyl)methyl]pyrimidine-2,4-quinone Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-12(2)18-19(20(27)16-7-13(3)8-17(10-16)26(30)31)25(22(29)24-21(18)28)11-15-5-6-23-14(4)9-15/h5-10,12H,11H2,1-4H3,(H,24,28,29)