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

Systemtic Name: 1-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-pyridin-4-ylsulfanyl-propan-2-ol Openeye Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(4-pyridylsulfanyl)propan-2-ol CAS Name: 1-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3-(pyridin-4-ylthio)-2-propanol IUPAC Name: 1-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridin-4-ylsulfanylpropan-2-ol Traditional Name: 1-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-(4-pyridylthio)propan-2-ol Formula: C23H20BrFN4O3S MolecularWeight: 531.397303

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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(CSC4=CC=NC=C4)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CSC4=CC=NC=C4)O

InChI

InChI=1S/C23H20BrFN4O3S/c1-31-21-9-17-20(27-13-28-23(17)29-19-3-2-14(24)8-18(19)25)10-22(21)32-11-15(30)12-33-16-4-6-26-7-5-16/h2-10,13,15,30H,11-12H2,1H3,(H,27,28,29)