2-[[2-[2-azanyl-4-(methylamino)quinazolin-7-yl]-3-fluoranyl-phenyl]-[bis(fluoranyl)methyl]amino]ethanol

Systemtic Name: 2-[[2-[2-azanyl-4-(methylamino)quinazolin-7-yl]-3-fluoranyl-phenyl]-[bis(fluoranyl)methyl]amino]ethanol Openeye Name: 2-[2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-(difluoromethyl)-3-fluoro-anilino]ethanol CAS Name: 2-[2-[2-amino-4-(methylamino)-7-quinazolinyl]-N-(difluoromethyl)-3-fluoroanilino]ethanol IUPAC Name: 2-[2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-(difluoromethyl)-3-fluoroanilino]ethanol Traditional Name: 2-[2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-(difluoromethyl)-3-fluoro-anilino]ethanol Formula: C18H18F3N5O MolecularWeight: 377.36363

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3F)N(CCO)C(F)F)N

Isomeric SMILES

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3F)N(CCO)C(F)F)N

InChI

InChI=1S/C18H18F3N5O/c1-23-16-11-6-5-10(9-13(11)24-18(22)25-16)15-12(19)3-2-4-14(15)26(7-8-27)17(20)21/h2-6,9,17,27H,7-8H2,1H3,(H3,22,23,24,25)