methyl (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(3-fluorophenyl)-2-(isobutylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(3-fluorophenyl)-2-(isobutylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H28FN3O2 MolecularWeight: 409.496423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC(C)C)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC(C)C)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C24H28FN3O2/c1-16(2)14-26-24-27-22(19-11-8-12-20(25)13-19)21(23(29)30-4)17(3)28(24)15-18-9-6-5-7-10-18/h5-13,16,22H,14-15H2,1-4H3,(H,26,27)/t22-/m0/s1