N4-[[2-(butylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[2-(butylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(butylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(butylamino)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(butylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: butyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

Isomeric SMILES

CCCCNC1=CC=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

InChI

InChI=1S/C21H26N6O2/c1-3-5-10-23-17-9-7-6-8-15(17)13-24-21-16-11-20(27(28)29)19(22-4-2)12-18(16)25-14-26-21/h6-9,11-12,14,22-23H,3-5,10,13H2,1-2H3,(H,24,25,26)