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

Systemtic Name: N7-ethyl-N4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[3-(2-morpholinoethoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[3-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[3-(2-morpholinoethoxy)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)OCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)OCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4/c1-2-24-21-14-20-19(13-22(21)29(30)31)23(27-16-26-20)25-15-17-4-3-5-18(12-17)33-11-8-28-6-9-32-10-7-28/h3-5,12-14,16,24H,2,6-11,15H2,1H3,(H,25,26,27)