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

Systemtic Name: N7-ethyl-N4-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[3-(3-morpholinopropoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[3-[3-(4-morpholinyl)propoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[3-(3-morpholinopropoxy)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)OCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)OCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O4/c1-2-25-22-15-21-20(14-23(22)30(31)32)24(28-17-27-21)26-16-18-5-3-6-19(13-18)34-10-4-7-29-8-11-33-12-9-29/h3,5-6,13-15,17,25H,2,4,7-12,16H2,1H3,(H,26,27,28)