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

Systemtic Name: 4-[[2-[(4-carboxy-3-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-methoxy-benzoic acid Openeye Name: 4-[[2-(4-carboxy-3-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-methoxy-benzoic acid CAS Name: 4-[[2-(4-carboxy-3-methoxyanilino)-5-fluoro-4-pyrimidinyl]amino]-2-methoxybenzoic acid IUPAC Name: 4-[[2-(4-carboxy-3-methoxyanilino)-5-fluoropyrimidin-4-yl]amino]-2-methoxybenzoic acid Traditional Name: 4-[[2-(4-carboxy-3-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-methoxy-benzoic acid Formula: C20H17FN4O6 MolecularWeight: 428.370583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C(=O)O)OC)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C(=O)O)OC)C(=O)O

InChI

InChI=1S/C20H17FN4O6/c1-30-15-7-10(3-5-12(15)18(26)27)23-17-14(21)9-22-20(25-17)24-11-4-6-13(19(28)29)16(8-11)31-2/h3-9H,1-2H3,(H,26,27)(H,28,29)(H2,22,23,24,25)