1-[[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]-(1-hydroxyethyl)amino]ethanol

Systemtic Name: 1-[[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]-(1-hydroxyethyl)amino]ethanol Openeye Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-(1-hydroxyethyl)anilino]ethanol CAS Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]-N-(1-hydroxyethyl)anilino]ethanol IUPAC Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-N-(1-hydroxyethyl)anilino]ethanol Traditional Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-(1-hydroxyethyl)anilino]ethanol Formula: C22H24FN5O4 MolecularWeight: 441.455463

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F)C(C)O)O

Isomeric SMILES

CC(N(C1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F)C(C)O)O

InChI

InChI=1S/C22H24FN5O4/c1-13(29)28(14(2)30)17-5-3-4-15(10-17)26-22-24-12-18(23)21(27-22)25-16-6-7-19-20(11-16)32-9-8-31-19/h3-7,10-14,29-30H,8-9H2,1-2H3,(H2,24,25,26,27)