[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl] ester IUPAC Name: [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl] ester Formula: C16H10ClF4N3O4S MolecularWeight: 451.779913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H10ClF4N3O4S/c1-27-12-6-11-8(5-13(12)28-29(25,26)16(19,20)21)15(23-7-22-11)24-10-4-2-3-9(17)14(10)18/h2-7H,1H3,(H,22,23,24)