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

Systemtic Name: butyl 4-[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-4-5-12-27-20(26)15-6-8-16(9-7-15)23-18(24)11-10-17-13(2)21-14(3)22-19(17)25/h6-9H,4-5,10-12H2,1-3H3,(H,23,24)(H,21,22,25)