methyl 4-[[5-fluoranyl-2-[(4-methoxycarbonyl-3-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[[5-fluoranyl-2-[(4-methoxycarbonyl-3-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: methyl 4-[[5-fluoro-2-(3-hydroxy-4-methoxycarbonyl-anilino)pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 4-[[5-fluoro-2-(3-hydroxy-4-methoxycarbonylanilino)-4-pyrimidinyl]amino]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-fluoro-2-(3-hydroxy-4-methoxycarbonylanilino)pyrimidin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 4-[[2-(4-carbomethoxy-3-hydroxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid methyl ester Formula: C20H17FN4O6 MolecularWeight: 428.370583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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