2-[4-[(3-bromophenyl)amino]-6-(3-morpholin-4-ylpropylamino)quinazolin-7-yl]prop-2-enamide

Systemtic Name: 2-[4-[(3-bromophenyl)amino]-6-(3-morpholin-4-ylpropylamino)quinazolin-7-yl]prop-2-enamide Openeye Name: 2-[4-(3-bromoanilino)-6-(3-morpholinopropylamino)quinazolin-7-yl]prop-2-enamide CAS Name: 2-[4-(3-bromoanilino)-6-[3-(4-morpholinyl)propylamino]-7-quinazolinyl]-2-propenamide IUPAC Name: 2-[4-(3-bromoanilino)-6-(3-morpholin-4-ylpropylamino)quinazolin-7-yl]prop-2-enamide Traditional Name: 2-[4-(3-bromoanilino)-6-(3-morpholinopropylamino)quinazolin-7-yl]acrylamide Formula: C24H27BrN6O2 MolecularWeight: 511.41418

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NCCCN4CCOCC4)C(=O)N

Isomeric SMILES

C=C(C1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NCCCN4CCOCC4)C(=O)N

InChI

InChI=1S/C24H27BrN6O2/c1-16(23(26)32)19-13-22-20(14-21(19)27-6-3-7-31-8-10-33-11-9-31)24(29-15-28-22)30-18-5-2-4-17(25)12-18/h2,4-5,12-15,27H,1,3,6-11H2,(H2,26,32)(H,28,29,30)