(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methylsulfanyl-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methylsulfanyl-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-methylsulfanyl-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-(methylthio)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methylsulfanylquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-(methylthio)quinazolin-6-yl]-4-piperidino-but-2-enamide Formula: C24H25ClFN5OS MolecularWeight: 486.004603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

Isomeric SMILES

CSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4

InChI

InChI=1S/C24H25ClFN5OS/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+