4-[[5-bromanyl-4-[(3-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-bromanyl-4-[(3-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-bromo-4-(3-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-bromo-4-(3-fluoroanilino)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-bromo-4-(3-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-bromo-4-(3-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(=C1)F)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O

InChI

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