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

Systemtic Name: N4-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(diethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(diethylaminomethyl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: diethyl-[2-[[[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:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=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)22(26-15-25-19)24-13-16-9-7-8-10-17(16)14-27(5-2)6-3/h7-12,15,23H,4-6,13-14H2,1-3H3,(H,24,25,26)