N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-N-diethoxyphosphoryl-ethanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-N-diethoxyphosphoryl-ethanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-N-diethoxyphosphoryl-acetamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-N-diethoxyphosphorylacetamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-N-diethoxyphosphorylacetamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-N-diethoxyphosphoryl-acetamide Formula: C20H22BrN4O4P MolecularWeight: 493.290841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(N(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)C)OCC

InChI

InChI=1S/C20H22BrN4O4P/c1-4-28-30(27,29-5-2)25(14(3)26)17-9-10-19-18(12-17)20(23-13-22-19)24-16-8-6-7-15(21)11-16/h6-13H,4-5H2,1-3H3,(H,22,23,24)