(E)-4-(dimethylamino)-N-[3-[[5-fluoranyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]but-2-enamide

Systemtic Name: (E)-4-(dimethylamino)-N-[3-[[5-fluoranyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]but-2-enamide Openeye Name: (E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide CAS Name: (E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)-2-pyrimidinyl]amino]phenyl]-2-butenamide IUPAC Name: (E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide Traditional Name: (E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(m-toluidino)pyrimidin-2-yl]amino]phenyl]but-2-enamide Formula: C23H25FN6O MolecularWeight: 420.482603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)NC(=O)C=CCN(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)NC(=O)/C=C/CN(C)C

InChI

InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+