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

Systemtic Name: 4-[(5-fluoranyl-4-phenylazanyl-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[(4-anilino-5-fluoro-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(4-anilino-5-fluoropyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[(4-anilino-5-fluoro-pyrimidin-2-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(=NC=C2F)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)O

InChI

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