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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-6-(3-morpholin-4-ylpropylamino)quinazolin-7-yl]prop-2-enamide Openeye Name: N-[4-(3-bromoanilino)-6-(3-morpholinopropylamino)quinazolin-7-yl]prop-2-enamide CAS Name: N-[4-(3-bromoanilino)-6-[3-(4-morpholinyl)propylamino]-7-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromoanilino)-6-(3-morpholin-4-ylpropylamino)quinazolin-7-yl]prop-2-enamide Traditional Name: N-[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=CC(=O)NC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NCCCN4CCOCC4

Isomeric SMILES

C=CC(=O)NC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NCCCN4CCOCC4

InChI

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