methyl 2-(2-ethyl-6-methyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)benzoate

Systemtic Name: methyl 2-(2-ethyl-6-methyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)benzoate Openeye Name: methyl 2-(2-ethyl-6-methyl-4-oxo-5-phenyl-pyrimidin-1-yl)benzoate CAS Name: 2-(2-ethyl-6-methyl-4-oxo-5-phenyl-1-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-ethyl-6-methyl-4-oxo-5-phenylpyrimidin-1-yl)benzoate Traditional Name: 2-(2-ethyl-4-keto-6-methyl-5-phenyl-pyrimidin-1-yl)benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C(=C(N1C2=CC=CC=C2C(=O)OC)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=O)C(=C(N1C2=CC=CC=C2C(=O)OC)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-4-18-22-20(24)19(15-10-6-5-7-11-15)14(2)23(18)17-13-9-8-12-16(17)21(25)26-3/h5-13H,4H2,1-3H3