3-[(6-azanylpyridin-3-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(6-azanylpyridin-3-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-amino-3-pyridyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-amino-3-pyridinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-aminopyridin-3-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-amino-3-pyridyl)amino]-4-methyl-benzoic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=CN=C(C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=CN=C(C=C2)N

InChI

InChI=1S/C13H13N3O2/c1-8-2-3-9(13(17)18)6-11(8)16-10-4-5-12(14)15-7-10/h2-7,16H,1H3,(H2,14,15)(H,17,18)