2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-butyl-6-methylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=N1)NC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CCCCC1=NC(=CC(=N1)NC2=CC=CC=C2C(=O)O)C

InChI

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