ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-4-(chloromethyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27ClN2O3 MolecularWeight: 378.89298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CCl

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CCl

InChI

InChI=1S/C20H27ClN2O3/c1-6-23-15(12-21)16(18(24)26-7-2)17(22-19(23)25)13-8-10-14(11-9-13)20(3,4)5/h8-11,17H,6-7,12H2,1-5H3,(H,22,25)