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

Systemtic Name: methyl 5-[[5-fluoranyl-2-[(4-methoxy-3-methoxycarbonyl-phenyl)amino]pyrimidin-4-yl]amino]-2-methoxy-benzoate Openeye Name: methyl 5-[[5-fluoro-2-(4-methoxy-3-methoxycarbonyl-anilino)pyrimidin-4-yl]amino]-2-methoxy-benzoate CAS Name: 5-[[5-fluoro-2-(4-methoxy-3-methoxycarbonylanilino)-4-pyrimidinyl]amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-2-(4-methoxy-3-methoxycarbonylanilino)pyrimidin-4-yl]amino]-2-methoxybenzoate Traditional Name: 5-[[2-(3-carbomethoxy-4-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-methoxy-benzoic acid methyl ester Formula: C22H21FN4O6 MolecularWeight: 456.423743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O6/c1-30-17-7-5-12(9-14(17)20(28)32-3)25-19-16(23)11-24-22(27-19)26-13-6-8-18(31-2)15(10-13)21(29)33-4/h5-11H,1-4H3,(H2,24,25,26,27)