2-(4-methoxyphenyl)-3-[4-(2-methylpropylamino)-2-phenylazanyl-pyrimidin-5-yl]propanoic acid

Systemtic Name: 2-(4-methoxyphenyl)-3-[4-(2-methylpropylamino)-2-phenylazanyl-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-anilino-4-(isobutylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid CAS Name: 3-[2-anilino-4-(2-methylpropylamino)-5-pyrimidinyl]-2-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[2-anilino-4-(2-methylpropylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[2-anilino-4-(isobutylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propionic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1CC(C2=CC=C(C=C2)OC)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1CC(C2=CC=C(C=C2)OC)C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-16(2)14-25-22-18(15-26-24(28-22)27-19-7-5-4-6-8-19)13-21(23(29)30)17-9-11-20(31-3)12-10-17/h4-12,15-16,21H,13-14H2,1-3H3,(H,29,30)(H2,25,26,27,28)