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

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(isobutylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-6-methyl-2-(2-methylpropylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(4-bromophenyl)-2-(isobutylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H28BrN3O2 MolecularWeight: 470.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrN3O2/c1-16(2)14-26-24-27-22(19-10-12-20(25)13-11-19)21(23(29)30-4)17(3)28(24)15-18-8-6-5-7-9-18/h5-13,16,22H,14-15H2,1-4H3,(H,26,27)/t22-/m0/s1