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

Systemtic Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C19H17FN4O3 MolecularWeight: 368.361683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

InChI

InChI=1S/C19H17FN4O3/c20-15-10-22-19(24-18(15)23-12-4-3-5-13(25)8-12)21-9-14-11-26-16-6-1-2-7-17(16)27-14/h1-8,10,14,25H,9,11H2,(H2,21,22,23,24)