methyl 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylate CAS Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid methyl ester Formula: C22H17FN4O5 MolecularWeight: 436.392583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(CCOO5)C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(CCOO5)C=C4)F

InChI

InChI=1S/C22H17FN4O5/c1-29-21(28)19-9-13-8-14(4-5-17(13)31-19)26-22-24-11-16(23)20(27-22)25-15-3-2-12-6-7-30-32-18(12)10-15/h2-5,8-11H,6-7H2,1H3,(H2,24,25,26,27)