(E)-4-morpholin-4-yl-N-[7-(oxolan-2-ylmethoxy)-4-(1-phenylethylamino)quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-morpholin-4-yl-N-[7-(oxolan-2-ylmethoxy)-4-(1-phenylethylamino)quinazolin-6-yl]but-2-enamide Openeye Name: (E)-4-morpholino-N-[4-(1-phenylethylamino)-7-(tetrahydrofuran-2-ylmethoxy)quinazolin-6-yl]but-2-enamide CAS Name: (E)-4-(4-morpholinyl)-N-[7-(2-oxolanylmethoxy)-4-(1-phenylethylamino)-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-4-morpholin-4-yl-N-[7-(oxolan-2-ylmethoxy)-4-(1-phenylethylamino)quinazolin-6-yl]but-2-enamide Traditional Name: (E)-4-morpholino-N-[4-(1-phenylethylamino)-7-(tetrahydrofurfuryloxy)quinazolin-6-yl]but-2-enamide Formula: C29H35N5O4 MolecularWeight: 517.6193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)C=CCN4CCOCC4)OCC5CCCO5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)/C=C/CN4CCOCC4)OCC5CCCO5

InChI

InChI=1S/C29H35N5O4/c1-21(22-7-3-2-4-8-22)32-29-24-17-26(33-28(35)10-5-11-34-12-15-36-16-13-34)27(18-25(24)30-20-31-29)38-19-23-9-6-14-37-23/h2-5,7-8,10,17-18,20-21,23H,6,9,11-16,19H2,1H3,(H,33,35)(H,30,31,32)/b10-5+