4-[[2-[(4-carboxy-3-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[2-[(4-carboxy-3-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-(4-carboxy-3-hydroxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[2-(4-carboxy-3-hydroxyanilino)-5-fluoro-4-pyrimidinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-(4-carboxy-3-hydroxyanilino)-5-fluoropyrimidin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[2-(4-carboxy-3-hydroxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid Formula: C18H13FN4O6 MolecularWeight: 400.317423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C18H13FN4O6/c19-12-7-20-18(22-9-2-4-11(17(28)29)14(25)6-9)23-15(12)21-8-1-3-10(16(26)27)13(24)5-8/h1-7,24-25H,(H,26,27)(H,28,29)(H2,20,21,22,23)