N-[4-[(3-bromophenyl)amino]-7-[3-(diethylamino)propylsulfanyl]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-7-[3-(diethylamino)propylsulfanyl]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-bromoanilino)-7-[3-(diethylamino)propylsulfanyl]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-bromoanilino)-7-[3-(diethylamino)propylthio]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromoanilino)-7-[3-(diethylamino)propylsulfanyl]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-bromoanilino)-7-[3-(diethylamino)propylthio]quinazolin-6-yl]acrylamide Formula: C24H28BrN5OS MolecularWeight: 514.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C=C

Isomeric SMILES

CCN(CC)CCCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C=C

InChI

InChI=1S/C24H28BrN5OS/c1-4-23(31)29-21-14-19-20(15-22(21)32-12-8-11-30(5-2)6-3)26-16-27-24(19)28-18-10-7-9-17(25)13-18/h4,7,9-10,13-16H,1,5-6,8,11-12H2,2-3H3,(H,29,31)(H,26,27,28)