3-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoranyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(coumaran-5-ylmethylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C19H17FN4O2 MolecularWeight: 352.362283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

InChI

InChI=1S/C19H17FN4O2/c20-16-11-22-19(24-18(16)23-14-2-1-3-15(25)9-14)21-10-12-4-5-17-13(8-12)6-7-26-17/h1-5,8-9,11,25H,6-7,10H2,(H2,21,22,23,24)