(E)-4-(dimethylamino)-N-[4-[(3-iodanylphenyl)amino]quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-(dimethylamino)-N-[4-[(3-iodanylphenyl)amino]quinazolin-6-yl]but-2-enamide Openeye Name: (E)-4-(dimethylamino)-N-[4-(3-iodoanilino)quinazolin-6-yl]but-2-enamide CAS Name: (E)-4-(dimethylamino)-N-[4-(3-iodoanilino)-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-4-(dimethylamino)-N-[4-(3-iodoanilino)quinazolin-6-yl]but-2-enamide Traditional Name: (E)-4-(dimethylamino)-N-[4-(3-iodoanilino)quinazolin-6-yl]but-2-enamide Formula: C20H20IN5O MolecularWeight: 473.31017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)I

Isomeric SMILES

CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)I

InChI

InChI=1S/C20H20IN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+