N'-[5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine

Systemtic Name: N'-[5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Openeye Name: N'-[5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(5-nitro-2-pyridyl)ethane-1,2-diamine CAS Name: N'-[5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-2-pyrimidinyl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine IUPAC Name: N'-[5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Traditional Name: [5-(1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-[2-[(5-nitro-2-pyridyl)amino]ethyl]amine Formula: C21H17F3N8O2 MolecularWeight: 470.40729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2C3=CN=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2C3=CN=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H17F3N8O2/c22-21(23,24)14-3-1-13(2-4-14)19-16(17-11-25-12-30-17)10-29-20(31-19)27-8-7-26-18-6-5-15(9-28-18)32(33)34/h1-6,9-12H,7-8H2,(H,25,30)(H,26,28)(H,27,29,31)