2-morpholin-4-ylethyl (E)-4-oxidanylidene-4-[[4-(1-phenylethylamino)quinazolin-6-yl]amino]but-2-enoate

Systemtic Name: 2-morpholin-4-ylethyl (E)-4-oxidanylidene-4-[[4-(1-phenylethylamino)quinazolin-6-yl]amino]but-2-enoate Openeye Name: 2-morpholinoethyl (E)-4-oxo-4-[[4-(1-phenylethylamino)quinazolin-6-yl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[4-(1-phenylethylamino)-6-quinazolinyl]amino]-2-butenoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl (E)-4-oxo-4-[[4-(1-phenylethylamino)quinazolin-6-yl]amino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(1-phenylethylamino)quinazolin-6-yl]amino]but-2-enoic acid 2-morpholinoethyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=CC(=O)OCCN4CCOCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)/C=C/C(=O)OCCN4CCOCC4

InChI

InChI=1S/C26H29N5O4/c1-19(20-5-3-2-4-6-20)29-26-22-17-21(7-8-23(22)27-18-28-26)30-24(32)9-10-25(33)35-16-13-31-11-14-34-15-12-31/h2-10,17-19H,11-16H2,1H3,(H,30,32)(H,27,28,29)/b10-9+