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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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