2-[(2-butoxypyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-[(2-butoxypyrimidin-4-yl)amino]benzoate Openeye Name: 2-[(2-butoxypyrimidin-4-yl)amino]benzoate CAS Name: 2-[(2-butoxy-4-pyrimidinyl)amino]benzoate IUPAC Name: 2-[(2-butoxypyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(2-butoxypyrimidin-4-yl)amino]benzoate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-2-3-10-21-15-16-9-8-13(18-15)17-12-7-5-4-6-11(12)14(19)20/h4-9H,2-3,10H2,1H3,(H,19,20)(H,16,17,18)/p-1