N-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitro-quinazolin-2-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitro-quinazolin-2-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-(3-morpholinopropoxy)-6-nitro-quinazolin-2-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-[3-(4-morpholinyl)propoxy]-6-nitro-2-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-2-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-(3-morpholinopropoxy)-6-nitro-quinazolin-2-yl]amine Formula: C21H21ClFN5O4 MolecularWeight: 461.873943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCOC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClFN5O4/c22-16-11-15(2-3-17(16)23)25-21-24-13-14-10-19(28(29)30)20(12-18(14)26-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13H,1,4-9H2,(H,24,25,26)