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

Systemtic Name: methyl 5-[[4-[(3-aminophenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[4-(3-aminoanilino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylate CAS Name: 5-[[4-(3-aminoanilino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-(3-aminoanilino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid methyl ester Formula: C20H16FN5O3 MolecularWeight: 393.371143

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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=CC=CC(=C4)N)F

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN5O3/c1-28-19(27)17-8-11-7-14(5-6-16(11)29-17)25-20-23-10-15(21)18(26-20)24-13-4-2-3-12(22)9-13/h2-10H,22H2,1H3,(H2,23,24,25,26)