3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclobutyloxy-quinazolin-6-yl]oxypropyl methanesulfonate

Systemtic Name: 3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclobutyloxy-quinazolin-6-yl]oxypropyl methanesulfonate Openeye Name: 3-[4-(3-chloro-4-fluoro-anilino)-7-(cyclobutoxy)quinazolin-6-yl]oxypropyl methanesulfonate CAS Name: methanesulfonic acid 3-[[4-(3-chloro-4-fluoroanilino)-7-cyclobutyloxy-6-quinazolinyl]oxy]propyl ester IUPAC Name: 3-[4-(3-chloro-4-fluoroanilino)-7-cyclobutyloxyquinazolin-6-yl]oxypropyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-(3-chloro-4-fluoro-anilino)-7-(cyclobutoxy)quinazolin-6-yl]oxypropyl ester Formula: C22H23ClFN3O5S MolecularWeight: 495.951523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCC4

Isomeric SMILES

CS(=O)(=O)OCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCC4

InChI

InChI=1S/C22H23ClFN3O5S/c1-33(28,29)31-9-3-8-30-20-11-16-19(12-21(20)32-15-4-2-5-15)25-13-26-22(16)27-14-6-7-18(24)17(23)10-14/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,25,26,27)