3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(2-amino-6-methyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(2-amino-6-methylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]benzoic acid Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H12N4O2/c1-7-5-10(16-12(13)14-7)15-9-4-2-3-8(6-9)11(17)18/h2-6H,1H3,(H,17,18)(H3,13,14,15,16)