4-[2-[(2-azanylpyridin-4-yl)amino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-[(2-azanylpyridin-4-yl)amino]pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-[(2-amino-4-pyridyl)amino]pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-[(2-amino-4-pyridinyl)amino]-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-[(2-aminopyridin-4-yl)amino]pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-[(2-amino-4-pyridyl)amino]pyrimidin-4-yl]benzoic acid Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC(=NC=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC(=NC=C3)N)C(=O)O

InChI

InChI=1S/C16H13N5O2/c17-14-9-12(5-7-18-14)20-16-19-8-6-13(21-16)10-1-3-11(4-2-10)15(22)23/h1-9H,(H,22,23)(H3,17,18,19,20,21)