2-[(5-fluoranyl-2-phenylazanyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(5-fluoranyl-2-phenylazanyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-anilino-5-fluoro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-anilino-5-fluoro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-anilino-5-fluoropyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-anilino-5-fluoro-pyrimidin-4-yl)amino]benzoic acid Formula: C17H13FN4O2 MolecularWeight: 324.309123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)F

InChI

InChI=1S/C17H13FN4O2/c18-13-10-19-17(20-11-6-2-1-3-7-11)22-15(13)21-14-9-5-4-8-12(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)