methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-3-oxidanylidene-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-3-oxidanylidene-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-3-oxo-benzofuran-2-carboxylate CAS Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]-3-oxo-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-3-oxo-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-3-keto-coumaran-2-carboxylic acid methyl ester Formula: C22H17FN4O6 MolecularWeight: 452.391983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

Isomeric SMILES

COC(=O)C1C(=O)C2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

InChI

InChI=1S/C22H17FN4O6/c1-30-21(29)19-18(28)13-8-11(2-4-15(13)33-19)26-22-24-10-14(23)20(27-22)25-12-3-5-16-17(9-12)32-7-6-31-16/h2-5,8-10,19H,6-7H2,1H3,(H2,24,25,26,27)