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

Systemtic Name: N4-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: 3-[3-[[[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=C3)OCCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)OCCCN(C)C)[N+](=O)[O-]

InChI

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