methyl (4S)-1-ethyl-2-(furan-2-ylmethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-2-(furan-2-ylmethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-2-(2-furylmethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-2-(2-furanylmethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-2-(furan-2-ylmethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-2-(2-furfurylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCC2=CC=CO2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCC2=CC=CO2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C21H22F3N3O3/c1-4-27-13(2)17(19(28)29-3)18(14-7-5-8-15(11-14)21(22,23)24)26-20(27)25-12-16-9-6-10-30-16/h5-11,18H,4,12H2,1-3H3,(H,25,26)/t18-/m0/s1