N-[2-(1-benzofuran-2-yl)-5-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: N-[2-(1-benzofuran-2-yl)-5-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[2-(benzofuran-2-yl)-5-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[2-(2-benzofuranyl)-5-nitro-4-quinazolinyl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[2-(1-benzofuran-2-yl)-5-nitroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[[2-(benzofuran-2-yl)-5-nitro-quinazolin-4-yl]amino]propyl-dimethyl-amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=C1C(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=C1C(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N5O3/c1-25(2)12-6-11-22-21-19-15(8-5-9-16(19)26(27)28)23-20(24-21)18-13-14-7-3-4-10-17(14)29-18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,23,24)