1-(4-acetyloxyphenyl)-2-ethyl-6-oxidanylidene-4-(phenylmethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 1-(4-acetyloxyphenyl)-2-ethyl-6-oxidanylidene-4-(phenylmethyl)pyrimidine-5-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-4-benzyl-2-ethyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-2-ethyl-6-oxo-4-(phenylmethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-4-benzyl-2-ethyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-4-benzyl-2-ethyl-6-keto-pyrimidine-5-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=O)N1C2=CC=C(C=C2)OC(=O)C)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C(C(=O)N1C2=CC=C(C=C2)OC(=O)C)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-3-19-23-18(13-15-7-5-4-6-8-15)20(22(27)28)21(26)24(19)16-9-11-17(12-10-16)29-14(2)25/h4-12H,3,13H2,1-2H3,(H,27,28)