5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H18F3N7O2 MolecularWeight: 445.39783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N7O2/c21-20(22,23)14-4-3-5-15(12-14)27-18-17(30(31)32)19(26-13-25-18)29-10-8-28(9-11-29)16-6-1-2-7-24-16/h1-7,12-13H,8-11H2,(H,25,26,27)