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

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-(2-methylpropylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-2-(isobutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-2-(2-methylpropylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-2-(2-methylpropylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-2-(isobutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H26F3N3O2 MolecularWeight: 397.43455

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCC(C)C)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCC(C)C)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C20H26F3N3O2/c1-6-26-13(4)16(18(27)28-5)17(25-19(26)24-11-12(2)3)14-8-7-9-15(10-14)20(21,22)23/h7-10,12,17H,6,11H2,1-5H3,(H,24,25)/t17-/m0/s1