N-[7-(2-acetamidoethylsulfanyl)-4-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[7-(2-acetamidoethylsulfanyl)-4-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[7-(2-acetamidoethylsulfanyl)-4-(4-bromo-2-fluoro-anilino)quinazolin-6-yl]prop-2-enamide CAS Name: N-[7-(2-acetamidoethylthio)-4-(4-bromo-2-fluoroanilino)-6-quinazolinyl]-2-propenamide IUPAC Name: N-[7-(2-acetamidoethylsulfanyl)-4-(4-bromo-2-fluoroanilino)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[7-(2-acetamidoethylthio)-4-(4-bromo-2-fluoro-anilino)quinazolin-6-yl]acrylamide Formula: C21H19BrFN5O2S MolecularWeight: 504.375263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Br)F)NC(=O)C=C

Isomeric SMILES

CC(=O)NCCSC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Br)F)NC(=O)C=C

InChI

InChI=1S/C21H19BrFN5O2S/c1-3-20(30)27-18-9-14-17(10-19(18)31-7-6-24-12(2)29)25-11-26-21(14)28-16-5-4-13(22)8-15(16)23/h3-5,8-11H,1,6-7H2,2H3,(H,24,29)(H,27,30)(H,25,26,28)