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

Systemtic Name: N7-ethyl-N4-[[2-(3-morpholin-4-ylpropylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(3-morpholinopropylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-[3-(4-morpholinyl)propylamino]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(3-morpholin-4-ylpropylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(3-morpholinopropylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C24H31N7O3 MolecularWeight: 465.54804

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N7O3/c1-2-25-22-15-21-19(14-23(22)31(32)33)24(29-17-28-21)27-16-18-6-3-4-7-20(18)26-8-5-9-30-10-12-34-13-11-30/h3-4,6-7,14-15,17,25-26H,2,5,8-13,16H2,1H3,(H,27,28,29)