N-[2-(1-benzofuran-2-yl)-7-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: N-[2-(1-benzofuran-2-yl)-7-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[2-(benzofuran-2-yl)-7-nitro-quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[2-(2-benzofuranyl)-7-nitro-4-quinazolinyl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[2-(1-benzofuran-2-yl)-7-nitroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[[2-(benzofuran-2-yl)-7-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)11-5-10-22-20-16-9-8-15(26(27)28)13-17(16)23-21(24-20)19-12-14-6-3-4-7-18(14)29-19/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,23,24)