2-[(2-azanyl-5,6-dimethyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-azanyl-5,6-dimethyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-amino-5,6-dimethyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-amino-5,6-dimethyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-amino-5,6-dimethylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-amino-5,6-dimethyl-pyrimidin-4-yl)amino]benzoic acid Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=CC=CC=C2C(=O)O)N)C

Isomeric SMILES

CC1=C(N=C(N=C1NC2=CC=CC=C2C(=O)O)N)C

InChI

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