3-(4-methylphenyl)-2-[(6-methylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-(4-methylphenyl)-2-[(6-methylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 2-[(6-methylpyrimidin-4-yl)amino]-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-2-[(6-methyl-4-pyrimidinyl)amino]propanoic acid IUPAC Name: 3-(4-methylphenyl)-2-[(6-methylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 2-[(6-methylpyrimidin-4-yl)amino]-3-(p-tolyl)propionic acid Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=C2)C

InChI

InChI=1S/C15H17N3O2/c1-10-3-5-12(6-4-10)8-13(15(19)20)18-14-7-11(2)16-9-17-14/h3-7,9,13H,8H2,1-2H3,(H,19,20)(H,16,17,18)