ethyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(2-chloro-6-fluoro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-6-fluorophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(2-chloro-6-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(2-chloro-6-fluoro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC=C2Cl)F)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC=C2Cl)F)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20ClFN2O3/c1-3-28-20(26)17-13(2)25(12-14-8-5-4-6-9-14)21(27)24-19(17)18-15(22)10-7-11-16(18)23/h4-11,19H,3,12H2,1-2H3,(H,24,27)