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

Systemtic Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-N-[[4-(trifluoromethylthio)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-[4-(trifluoromethylthio)benzyl]amine Formula: C21H20F3N7O2S MolecularWeight: 491.48941

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)SC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)SC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N7O2S/c22-21(23,24)34-16-6-4-15(5-7-16)13-26-19-18(31(32)33)20(28-14-27-19)30-11-9-29(10-12-30)17-3-1-2-8-25-17/h1-8,14H,9-13H2,(H,26,27,28)