4-[[5-bromanyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-bromanyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-bromo-4-(4-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-bromo-4-(4-fluoroanilino)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-bromo-4-(4-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-bromo-4-(4-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid Formula: C17H12BrFN4O2 MolecularWeight: 403.205183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C17H12BrFN4O2/c18-14-9-20-17(22-13-5-1-10(2-6-13)16(24)25)23-15(14)21-12-7-3-11(19)4-8-12/h1-9H,(H,24,25)(H2,20,21,22,23)