6-(3-methyl-5-nitro-phenyl)carbonyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-(3-methyl-5-nitro-phenyl)carbonyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Openeye Name: 5-isopropyl-6-(3-methyl-5-nitro-benzoyl)-1-(4-pyridylmethyl)pyrimidine-2,4-dione CAS Name: 6-[(3-methyl-5-nitrophenyl)-oxomethyl]-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-(3-methyl-5-nitrobenzoyl)-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Traditional Name: 5-isopropyl-6-(3-methyl-5-nitro-benzoyl)-1-(4-pyridylmethyl)pyrimidine-2,4-quinone Formula: C21H20N4O5 MolecularWeight: 408.4073

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-12(2)17-18(19(26)15-8-13(3)9-16(10-15)25(29)30)24(21(28)23-20(17)27)11-14-4-6-22-7-5-14/h4-10,12H,11H2,1-3H3,(H,23,27,28)