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

Systemtic Name: ethyl 4-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-fluoranylpyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-bromo-2-fluoro-phenyl)-2-(3-fluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-bromo-2-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-fluorophenyl)-2-(3-fluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-bromo-2-fluoro-phenyl)-2-(3-fluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H16BrF2N3O2 MolecularWeight: 436.250046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)Br)F)C3=C(C=CC=N3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)Br)F)C3=C(C=CC=N3)F)C

InChI

InChI=1S/C19H16BrF2N3O2/c1-3-27-19(26)15-10(2)24-18(17-13(21)5-4-8-23-17)25-16(15)12-7-6-11(20)9-14(12)22/h4-9,16H,3H2,1-2H3,(H,24,25)