N4,N6-bis(3-imidazol-1-ylpropyl)-N2-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4,N6-bis(3-imidazol-1-ylpropyl)-N2-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4,N6-bis(3-imidazol-1-ylpropyl)-N2-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4,N6-bis[3-(1-imidazolyl)propyl]-N2-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N,6-N-bis(3-imidazol-1-ylpropyl)-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4,6-bis(3-imidazol-1-ylpropylamino)-s-triazin-2-yl]-(4-nitrophenyl)amine Formula: C21H25N11O2 MolecularWeight: 463.4957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N11O2/c33-32(34)18-5-3-17(4-6-18)26-21-28-19(24-7-1-11-30-13-9-22-15-30)27-20(29-21)25-8-2-12-31-14-10-23-16-31/h3-6,9-10,13-16H,1-2,7-8,11-12H2,(H3,24,25,26,27,28,29)