methyl 2-[dimethylamino(phenyl)methyl]-4-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[dimethylamino(phenyl)methyl]-4-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-benzoyloxy-2-[dimethylamino(phenyl)methyl]-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 5-benzoyloxy-2-[dimethylamino(phenyl)methyl]-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-benzoyloxy-2-[dimethylamino(phenyl)methyl]-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-benzoyloxy-2-[dimethylamino(phenyl)methyl]-4-keto-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C1=CC=CC=C1)C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(C1=CC=CC=C1)C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-25(2)17(14-10-6-4-7-11-14)19-23-16(22(28)29-3)18(20(26)24-19)30-21(27)15-12-8-5-9-13-15/h4-13,17H,1-3H3,(H,23,24,26)