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

Systemtic Name: N7-ethyl-N4-[[2-(4-morpholin-4-ylbutoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(4-morpholinobutoxy)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-[4-(4-morpholinyl)butoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(4-morpholin-4-ylbutoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(4-morpholinobutoxy)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N6O4/c1-2-26-22-16-21-20(15-23(22)31(32)33)25(29-18-28-21)27-17-19-7-3-4-8-24(19)35-12-6-5-9-30-10-13-34-14-11-30/h3-4,7-8,15-16,18,26H,2,5-6,9-14,17H2,1H3,(H,27,28,29)