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

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-2-(2-methoxyethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(2-methoxyethylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-(2-methoxyethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(2-methoxyethylamino)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(4-bromophenyl)-2-(2-methoxyethylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H26BrN3O3 MolecularWeight: 472.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3/c1-16-20(22(28)30-3)21(18-9-11-19(24)12-10-18)26-23(25-13-14-29-2)27(16)15-17-7-5-4-6-8-17/h4-12,21H,13-15H2,1-3H3,(H,25,26)/t21-/m0/s1