3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]benzoic acid

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]benzoic acid Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]benzoic acid CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)-methylamino]benzoic acid IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]benzoic acid Formula: C14H15N3O2 MolecularWeight: 257.2878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(C)C2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(C)C2=CC=CC(=C2)C(=O)O)C

InChI

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