N-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(3-diethoxyphosphorylpropoxy)-7-methoxy-quinazolin-4-yl]amine Formula: C22H26ClFN3O5P MolecularWeight: 497.884104

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC)OCC

Isomeric SMILES

CCOP(=O)(CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC)OCC

InChI

InChI=1S/C22H26ClFN3O5P/c1-4-31-33(28,32-5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27)