3-azanyl-3-[2-[(2-methylphenyl)amino]pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-[(2-methylphenyl)amino]pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(2-methylanilino)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-(2-methylanilino)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-(2-methylanilino)pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(o-toluidino)pyrimidin-5-yl]propionic acid Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C=N2)C(CC(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C=N2)C(CC(=O)O)N

InChI

InChI=1S/C14H16N4O2/c1-9-4-2-3-5-12(9)18-14-16-7-10(8-17-14)11(15)6-13(19)20/h2-5,7-8,11H,6,15H2,1H3,(H,19,20)(H,16,17,18)