3-[[2-[(3-carboxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-[(3-carboxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(3-carboxyanilino)-5-fluoro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(3-carboxyanilino)-5-fluoro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(3-carboxyanilino)-5-fluoro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H13FN4O4 MolecularWeight: 368.318623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN4O4/c19-14-9-20-18(22-13-6-2-4-11(8-13)17(26)27)23-15(14)21-12-5-1-3-10(7-12)16(24)25/h1-9H,(H,24,25)(H,26,27)(H2,20,21,22,23)