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

Systemtic Name: propan-2-yl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H22ClFN2O3 MolecularWeight: 416.873083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

InChI

InChI=1S/C22H22ClFN2O3/c1-13(2)29-21(27)18-14(3)26(12-15-8-5-4-6-9-15)22(28)25-20(18)19-16(23)10-7-11-17(19)24/h4-11,13,20H,12H2,1-3H3,(H,25,28)