ethyl 4-[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propanoylamino]benzoic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)C)C

InChI

InChI=1S/C18H21N3O4/c1-4-25-18(24)13-5-7-14(8-6-13)21-16(22)10-9-15-11(2)19-12(3)20-17(15)23/h5-8H,4,9-10H2,1-3H3,(H,21,22)(H,19,20,23)