ethyl 6-ethyl-4-(2-fluoranyl-4-methyl-phenyl)-2-(3-fluoranylpyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-ethyl-4-(2-fluoranyl-4-methyl-phenyl)-2-(3-fluoranylpyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-ethyl-4-(2-fluoro-4-methyl-phenyl)-2-(3-fluoro-2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-ethyl-4-(2-fluoro-4-methylphenyl)-2-(3-fluoro-2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-4-(2-fluoro-4-methylphenyl)-2-(3-fluoropyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-ethyl-4-(2-fluoro-4-methyl-phenyl)-2-(3-fluoro-2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21F2N3O2 MolecularWeight: 385.407146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N=C(N1)C2=C(C=CC=N2)F)C3=C(C=C(C=C3)C)F)C(=O)OCC

Isomeric SMILES

CCC1=C(C(N=C(N1)C2=C(C=CC=N2)F)C3=C(C=C(C=C3)C)F)C(=O)OCC

InChI

InChI=1S/C21H21F2N3O2/c1-4-16-17(21(27)28-5-2)18(13-9-8-12(3)11-15(13)23)26-20(25-16)19-14(22)7-6-10-24-19/h6-11,18H,4-5H2,1-3H3,(H,25,26)