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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C14H15N3O2/c1-9-7-10(2)17-14(16-9)15-8-11-3-5-12(6-4-11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)