methyl (4S)-2-[(3-chlorophenyl)methylamino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-2-[(3-chlorophenyl)methylamino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-[(3-chlorophenyl)methylamino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-[(3-chlorophenyl)methylamino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-[(3-chlorophenyl)methylamino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-[(3-chlorobenzyl)amino]-1-ethyl-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H23ClFN3O2 MolecularWeight: 415.888323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCC2=CC(=CC=C2)Cl)C3=CC(=CC=C3)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCC2=CC(=CC=C2)Cl)C3=CC(=CC=C3)F)C(=O)OC)C

InChI

InChI=1S/C22H23ClFN3O2/c1-4-27-14(2)19(21(28)29-3)20(16-8-6-10-18(24)12-16)26-22(27)25-13-15-7-5-9-17(23)11-15/h5-12,20H,4,13H2,1-3H3,(H,25,26)/t20-/m0/s1