N4-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: 3-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenoxy]propyl-dimethyl-amine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c1-4-23-19-13-18-17(12-20(19)28(29)30)22(26-15-25-18)24-14-16-8-5-6-9-21(16)31-11-7-10-27(2)3/h5-6,8-9,12-13,15,23H,4,7,10-11,14H2,1-3H3,(H,24,25,26)