N2-[[2-[4-(ethoxymethyl)piperidin-1-yl]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine

Systemtic Name: N2-[[2-[4-(ethoxymethyl)piperidin-1-yl]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine Openeye Name: N2-[[2-[4-(ethoxymethyl)-1-piperidyl]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: N2-[[2-[4-(ethoxymethyl)-1-piperidinyl]phenyl]methyl]-N7-ethyl-6-nitroquinazoline-2,7-diamine IUPAC Name: 2-N-[[2-[4-(ethoxymethyl)piperidin-1-yl]phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: [2-[4-(ethoxymethyl)piperidino]benzyl]-[7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3N4CCC(CC4)COCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3N4CCC(CC4)COCC)[N+](=O)[O-]

InChI

InChI=1S/C25H32N6O3/c1-3-26-22-14-21-20(13-24(22)31(32)33)16-28-25(29-21)27-15-19-7-5-6-8-23(19)30-11-9-18(10-12-30)17-34-4-2/h5-8,13-14,16,18,26H,3-4,9-12,15,17H2,1-2H3,(H,27,28,29)