N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitro-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-7-(3-morpholinopropoxy)-6-nitro-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-7-[3-(4-morpholinyl)propoxy]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine Traditional Name: (3-bromophenyl)-[7-(3-morpholinopropoxy)-6-nitro-quinazolin-4-yl]amine Formula: C21H22BrN5O4 MolecularWeight: 488.33448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O4/c22-15-3-1-4-16(11-15)25-21-17-12-19(27(28)29)20(13-18(17)23-14-24-21)31-8-2-5-26-6-9-30-10-7-26/h1,3-4,11-14H,2,5-10H2,(H,23,24,25)