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

Systemtic Name: 6-(3,5-dimethylphenyl)carbonyl-1-[[3-(hydroxymethyl)pyridin-4-yl]methyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylbenzoyl)-1-[[3-(hydroxymethyl)-4-pyridyl]methyl]-5-isopropyl-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)-oxomethyl]-1-[[3-(hydroxymethyl)-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylbenzoyl)-1-[[3-(hydroxymethyl)pyridin-4-yl]methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzoyl)-5-isopropyl-1-[(3-methylol-4-pyridyl)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=NC=C3)CO)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-13(2)19-20(21(28)17-8-14(3)7-15(4)9-17)26(23(30)25-22(19)29)11-16-5-6-24-10-18(16)12-27/h5-10,13,27H,11-12H2,1-4H3,(H,25,29,30)