methyl (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-(2-pyridin-3-ylethylamino)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-(2-pyridin-3-ylethylamino)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-6-methyl-2-[2-(3-pyridyl)ethylamino]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-[2-(3-pyridinyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-6-methyl-2-(2-pyridin-3-ylethylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(4-bromophenyl)-6-methyl-2-[2-(3-pyridyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C27H27BrN4O2 MolecularWeight: 519.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCCC3=CN=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CN=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C27H27BrN4O2/c1-19-24(26(33)34-2)25(22-10-12-23(28)13-11-22)31-27(30-16-14-20-9-6-15-29-17-20)32(19)18-21-7-4-3-5-8-21/h3-13,15,17,25H,14,16,18H2,1-2H3,(H,30,31)/t25-/m0/s1