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

Systemtic Name: 2-[[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(4-fluoroanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(4-fluoroanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-fluoroanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(4-fluoroanilino)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)C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)F

InChI

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