4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)-N-oxidanyl-quinazolin-6-amine oxide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)-N-oxidanyl-quinazolin-6-amine oxide Openeye Name: 4-(3-chloro-4-fluoro-anilino)-N-hydroxy-7-(3-morpholinopropoxy)quinazolin-6-amine oxide CAS Name: 4-(3-chloro-4-fluoroanilino)-N-hydroxy-7-[3-(4-morpholinyl)propoxy]-6-quinazolinamine oxide IUPAC Name: 4-(3-chloro-4-fluoroanilino)-N-hydroxy-7-(3-morpholin-4-ylpropoxy)quinazolin-6-amine oxide Traditional Name: 4-(3-chloro-4-fluoro-anilino)-N-hydroxy-7-(3-morpholinopropoxy)quinazolin-6-amine oxide Formula: C21H23ClFN5O4 MolecularWeight: 463.889823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[NH+](O)[O-]

Isomeric SMILES

C1COCCN1CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[NH+](O)[O-]

InChI

InChI=1S/C21H23ClFN5O4/c22-16-10-14(2-3-17(16)23)26-21-15-11-19(28(29)30)20(12-18(15)24-13-25-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13,28-29H,1,4-9H2,(H,24,25,26)