N6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-methyl-amino]ethyl]-3-nitro-pyridine-2,6-diamine

Systemtic Name: N6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-methyl-amino]ethyl]-3-nitro-pyridine-2,6-diamine Openeye Name: N6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-methyl-amino]ethyl]-3-nitro-pyridine-2,6-diamine CAS Name: N6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]-methylamino]ethyl]-3-nitropyridine-2,6-diamine IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-nitropyridine-2,6-diamine Traditional Name: 2-[(6-amino-5-nitro-2-pyridyl)amino]ethyl-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-methyl-amine Formula: C21H19Cl2N9O2 MolecularWeight: 500.34066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC1=NC(=C(C=C1)[N+](=O)[O-])N)C2=NC=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CN4

Isomeric SMILES

CN(CCNC1=NC(=C(C=C1)[N+](=O)[O-])N)C2=NC=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CN4

InChI

InChI=1S/C21H19Cl2N9O2/c1-31(9-8-25-17-5-4-16(32(33)34)19(24)29-17)21-28-11-14(20-26-6-7-27-20)18(30-21)13-3-2-12(22)10-15(13)23/h2-7,10-11H,8-9H2,1H3,(H,26,27)(H3,24,25,29)