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

Systemtic Name: methyl 5-[(5-fluoranyl-4-phenylazanyl-pyrimidin-2-yl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-[(4-anilino-5-fluoro-2-pyrimidinyl)amino]-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]coumaran-2-carboxylic acid methyl ester Formula: C20H17FN4O3 MolecularWeight: 380.372383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)F

Isomeric SMILES

COC(=O)C1CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)F

InChI

InChI=1S/C20H17FN4O3/c1-27-19(26)17-10-12-9-14(7-8-16(12)28-17)24-20-22-11-15(21)18(25-20)23-13-5-3-2-4-6-13/h2-9,11,17H,10H2,1H3,(H2,22,23,24,25)