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

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-(4-oxidanylbutylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-2-(4-hydroxybutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-2-(4-hydroxybutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-2-(4-hydroxybutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-2-(4-hydroxybutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H26F3N3O3 MolecularWeight: 413.43395

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCCCCO)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCCCCO)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C20H26F3N3O3/c1-4-26-13(2)16(18(28)29-3)17(25-19(26)24-10-5-6-11-27)14-8-7-9-15(12-14)20(21,22)23/h7-9,12,17,27H,4-6,10-11H2,1-3H3,(H,24,25)/t17-/m0/s1