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

Systemtic Name: methyl (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-(2-pyridin-2-ylethylamino)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[2-(2-pyridyl)ethylamino]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[2-(2-pyridinyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-(2-pyridin-2-ylethylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[2-(2-pyridyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCCC3=CC=CC=N3)C4=CC(=CC=C4)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CC=CC=N3)C4=CC(=CC=C4)F)C(=O)OC

InChI

InChI=1S/C27H27FN4O2/c1-19-24(26(33)34-2)25(21-11-8-12-22(28)17-21)31-27(30-16-14-23-13-6-7-15-29-23)32(19)18-20-9-4-3-5-10-20/h3-13,15,17,25H,14,16,18H2,1-2H3,(H,30,31)/t25-/m0/s1