2-[(4-bromophenyl)carbonylamino]-2-[4-chloranyl-6-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-2-[4-chloranyl-6-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(4-bromobenzoyl)amino]-2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-chloro-6-(dimethylamino)-5-pyrimidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(4-bromobenzoyl)amino]-2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-phenylpropanoic acid Traditional Name: 2-[(4-bromobenzoyl)amino]-2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propionic acid Formula: C22H20BrClN4O3 MolecularWeight: 503.7762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NC=N1)Cl)C(CC2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=C(C(=NC=N1)Cl)C(CC2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrClN4O3/c1-28(2)19-17(18(24)25-13-26-19)22(21(30)31,12-14-6-4-3-5-7-14)27-20(29)15-8-10-16(23)11-9-15/h3-11,13H,12H2,1-2H3,(H,27,29)(H,30,31)