3-[(2-ethyl-6-methyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 3-[(2-ethyl-6-methyl-pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2-ethyl-6-methyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2-ethyl-6-methyl-4-pyrimidinyl)amino]benzoate IUPAC Name: 3-[(2-ethyl-6-methylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2-ethyl-6-methyl-pyrimidin-4-yl)amino]benzoate Formula: C14H14N3O2- MolecularWeight: 256.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CCC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C14H15N3O2/c1-3-12-15-9(2)7-13(17-12)16-11-6-4-5-10(8-11)14(18)19/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)/p-1