N2-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine

Systemtic Name: N2-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine Openeye Name: N2-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: N2-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-2,7-diamine IUPAC Name: 2-N-[[2-(diethylaminomethyl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: diethyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-2-yl]amino]methyl]benzyl]amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3CN(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3CN(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O2/c1-4-23-20-12-19-18(11-21(20)28(29)30)14-25-22(26-19)24-13-16-9-7-8-10-17(16)15-27(5-2)6-3/h7-12,14,23H,4-6,13,15H2,1-3H3,(H,24,25,26)