1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-morpholin-4-yl-propan-2-ol hydrochloride

Systemtic Name: 1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-morpholin-4-yl-propan-2-ol hydrochloride Openeye Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-morpholino-propan-2-ol hydrochloride CAS Name: 1-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3-(4-morpholinyl)-2-propanol hydrochloride IUPAC Name: 1-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol hydrochloride Traditional Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-morpholino-propan-2-ol hydrochloride Formula: C22H25BrClFN4O4 MolecularWeight: 543.813703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CN4CCOCC4)O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CN4CCOCC4)O.Cl

InChI

InChI=1S/C22H24BrFN4O4.ClH/c1-30-20-9-16-19(10-21(20)32-12-15(29)11-28-4-6-31-7-5-28)25-13-26-22(16)27-18-3-2-14(23)8-17(18)24;/h2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27);1H