N-[4-[(3-bromophenyl)amino]-7-[(4-methyl-6-oxidanylidene-morpholin-2-yl)methoxy]quinazolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-7-[(4-methyl-6-oxidanylidene-morpholin-2-yl)methoxy]quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-7-[(4-methyl-6-oxo-morpholin-2-yl)methoxy]quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-7-[(4-methyl-6-oxo-2-morpholinyl)methoxy]-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-7-[(4-methyl-6-oxomorpholin-2-yl)methoxy]quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-7-[(6-keto-4-methyl-morpholin-2-yl)methoxy]quinazolin-6-yl]but-2-ynamide Formula: C24H22BrN5O4 MolecularWeight: 524.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCC4CN(CC(=O)O4)C

Isomeric SMILES

CC#CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCC4CN(CC(=O)O4)C

InChI

InChI=1S/C24H22BrN5O4/c1-3-5-22(31)29-20-9-18-19(10-21(20)33-13-17-11-30(2)12-23(32)34-17)26-14-27-24(18)28-16-7-4-6-15(25)8-16/h4,6-10,14,17H,11-13H2,1-2H3,(H,29,31)(H,26,27,28)