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

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclopentyloxy-quinazolin-6-yl]oxybutyl methanesulfonate Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopentoxy)quinazolin-6-yl]oxybutyl methanesulfonate CAS Name: methanesulfonic acid 4-[[4-(3-chloro-4-fluoroanilino)-7-cyclopentyloxy-6-quinazolinyl]oxy]butyl ester IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)-7-cyclopentyloxyquinazolin-6-yl]oxybutyl methanesulfonate Traditional Name: methanesulfonic acid 4-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopentoxy)quinazolin-6-yl]oxybutyl ester Formula: C24H27ClFN3O5S MolecularWeight: 524.004683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCCC4

Isomeric SMILES

CS(=O)(=O)OCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCCC4

InChI

InChI=1S/C24H27ClFN3O5S/c1-35(30,31)33-11-5-4-10-32-22-13-18-21(14-23(22)34-17-6-2-3-7-17)27-15-28-24(18)29-16-8-9-20(26)19(25)12-16/h8-9,12-15,17H,2-7,10-11H2,1H3,(H,27,28,29)