N-(3-chloranyl-4-fluoranyl-phenyl)-4-methoxy-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-amine; sulfuric acid

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-methoxy-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-amine; sulfuric acid Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-methoxy-6-(3-morpholinopropoxy)-1H-quinazolin-4-amine; sulfuric acid CAS Name: N-(3-chloro-4-fluorophenyl)-4-methoxy-6-[3-(4-morpholinyl)propoxy]-1H-quinazolin-4-amine; sulfuric acid IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-methoxy-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-amine; sulfuric acid Traditional Name: (3-chloro-4-fluoro-phenyl)-[4-methoxy-6-(3-morpholinopropoxy)-1H-quinazolin-4-yl]amine; sulfuric acid Formula: C22H30ClFN4O11S2 MolecularWeight: 645.075203

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=C(C=CC(=C2)OCCCN3CCOCC3)NC=N1)NC4=CC(=C(C=C4)F)Cl.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

COC1(C2=C(C=CC(=C2)OCCCN3CCOCC3)NC=N1)NC4=CC(=C(C=C4)F)Cl.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C22H26ClFN4O3.2H2O4S/c1-29-22(27-16-3-5-20(24)19(23)13-16)18-14-17(4-6-21(18)25-15-26-22)31-10-2-7-28-8-11-30-12-9-28;2*1-5(2,3)4/h3-6,13-15,27H,2,7-12H2,1H3,(H,25,26);2*(H2,1,2,3,4)