2-[(2-phenylazanylpyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-[(2-phenylazanylpyrimidin-4-yl)amino]benzoate Openeye Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoate CAS Name: 2-[(2-anilino-4-pyrimidinyl)amino]benzoate IUPAC Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoate Formula: C17H13N4O2- MolecularWeight: 305.31072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)/p-1