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

Systemtic Name: 5-nitro-6-piperidin-1-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(1-piperidyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(1-piperidinyl)-N-[[4-(trifluoromethylthio)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-piperidin-1-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-[4-(trifluoromethylthio)benzyl]amine Formula: C17H18F3N5O2S MolecularWeight: 413.41733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)SC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)SC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O2S/c18-17(19,20)28-13-6-4-12(5-7-13)10-21-15-14(25(26)27)16(23-11-22-15)24-8-2-1-3-9-24/h4-7,11H,1-3,8-10H2,(H,21,22,23)