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

Systemtic Name: 3-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2-butyl-6-methyl-4-pyrimidinyl)amino]benzoate IUPAC Name: 3-[(2-butyl-6-methylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoate Formula: C16H18N3O2- MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CCCCC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C16H19N3O2/c1-3-4-8-14-17-11(2)9-15(19-14)18-13-7-5-6-12(10-13)16(20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)(H,17,18,19)/p-1