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

Systemtic Name: 2-[4-chloranyl-6-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-dimethylaminophenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]propanoic acid CAS Name: 2-[4-chloro-6-(dimethylamino)-5-pyrimidinyl]-3-[4-[[(4-dimethylaminophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]propanoic acid Traditional Name: 2-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-3-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]propionic acid Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(C3=C(N=CN=C3Cl)N(C)C)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(C3=C(N=CN=C3Cl)N(C)C)C(=O)O

InChI

InChI=1S/C24H26ClN5O3/c1-29(2)18-11-7-16(8-12-18)23(31)28-17-9-5-15(6-10-17)13-19(24(32)33)20-21(25)26-14-27-22(20)30(3)4/h5-12,14,19H,13H2,1-4H3,(H,28,31)(H,32,33)