methyl 5-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylate CAS Name: 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid methyl ester Formula: C21H16ClFN4O4 MolecularWeight: 442.827543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC)Cl

InChI

InChI=1S/C21H16ClFN4O4/c1-29-17-6-4-13(9-14(17)22)25-19-15(23)10-24-21(27-19)26-12-3-5-16-11(7-12)8-18(31-16)20(28)30-2/h3-10H,1-2H3,(H2,24,25,26,27)