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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN5O4/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/h2-3,10-13H,1,4-9H2,(H,24,25,26)