2-[[2,6-dimethyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[2,6-dimethyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 2-[[2,6-dimethyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 2-[[2,6-dimethyl-5-(1-naphthalenylmethyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 2-[[2,6-dimethyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 2-[[2,6-dimethyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]propionic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NC(C)C(=O)O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NC(=N1)C)NC(C)C(=O)O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2/c1-12-18(19(23-14(3)21-12)22-13(2)20(24)25)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11H2,1-3H3,(H,24,25)(H,21,22,23)