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

Systemtic Name: methyl 2-[4-(dimethylaminomethyl)phenyl]-4-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-benzoyloxy-2-[4-(dimethylaminomethyl)phenyl]-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 5-benzoyloxy-2-[4-(dimethylaminomethyl)phenyl]-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-benzoyloxy-2-[4-(dimethylaminomethyl)phenyl]-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-benzoyloxy-2-[4-(dimethylaminomethyl)phenyl]-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)CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-25(2)13-14-9-11-15(12-10-14)19-23-17(22(28)29-3)18(20(26)24-19)30-21(27)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,23,24,26)