N4-[[4-(butylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[4-(butylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[4-(butylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[4-(butylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[4-(butylaminomethyl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: butyl-[4-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]benzyl]amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

InChI

InChI=1S/C22H28N6O2/c1-3-5-10-23-13-16-6-8-17(9-7-16)14-25-22-18-11-21(28(29)30)20(24-4-2)12-19(18)26-15-27-22/h6-9,11-12,15,23-24H,3-5,10,13-14H2,1-2H3,(H,25,26,27)