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

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-(prop-2-enylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-(allylamino)-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-2-(prop-2-enylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-2-(prop-2-enylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-(allylamino)-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H22F3N3O2 MolecularWeight: 381.39209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N3O2/c1-5-10-23-18-24-16(13-8-7-9-14(11-13)19(20,21)22)15(17(26)27-4)12(3)25(18)6-2/h5,7-9,11,16H,1,6,10H2,2-4H3,(H,23,24)/t16-/m0/s1