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

Systemtic Name: 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[6-methyl-2-(methylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NC)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H14N4O2/c1-8-7-11(17-13(14-2)15-8)16-10-6-4-3-5-9(10)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,14,15,16,17)