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

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methylsulfanyl-quinazolin-6-yl]-6-piperidin-1-yl-hex-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-methylsulfanyl-quinazolin-6-yl]-6-(1-piperidyl)hex-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-(methylthio)-6-quinazolinyl]-6-(1-piperidinyl)-2-hexenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methylsulfanylquinazolin-6-yl]-6-piperidin-1-ylhex-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-(methylthio)quinazolin-6-yl]-6-piperidino-hex-2-enamide Formula: C26H29ClFN5OS MolecularWeight: 514.057763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCCCN4CCCCC4

Isomeric SMILES

CSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CCCN4CCCCC4

InChI

InChI=1S/C26H29ClFN5OS/c1-35-24-16-22-19(26(30-17-29-22)31-18-9-10-21(28)20(27)14-18)15-23(24)32-25(34)8-4-2-5-11-33-12-6-3-7-13-33/h4,8-10,14-17H,2-3,5-7,11-13H2,1H3,(H,32,34)(H,29,30,31)/b8-4+