N-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[4-(coumaran-5-ylmethylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]acrylamide Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCC4)F

Isomeric SMILES

C=CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCC4)F

InChI

InChI=1S/C22H20FN5O2/c1-2-20(29)26-16-4-3-5-17(11-16)27-22-25-13-18(23)21(28-22)24-12-14-6-7-19-15(10-14)8-9-30-19/h2-7,10-11,13H,1,8-9,12H2,(H,26,29)(H2,24,25,27,28)