5-nitro-N4-(piperidin-4-ylmethyl)-N2-[[2-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N4-(piperidin-4-ylmethyl)-N2-[[2-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-nitro-N4-(4-piperidylmethyl)-N2-[[2-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-nitro-N4-(4-piperidinylmethyl)-N2-[[2-(trifluoromethylthio)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-nitro-4-N-(piperidin-4-ylmethyl)-2-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [5-nitro-4-(4-piperidylmethylamino)pyrimidin-2-yl]-[2-(trifluoromethylthio)benzyl]amine Formula: C18H21F3N6O2S MolecularWeight: 442.45855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC(F)(F)F

Isomeric SMILES

C1CNCCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC(F)(F)F

InChI

InChI=1S/C18H21F3N6O2S/c19-18(20,21)30-15-4-2-1-3-13(15)10-24-17-25-11-14(27(28)29)16(26-17)23-9-12-5-7-22-8-6-12/h1-4,11-12,22H,5-10H2,(H2,23,24,25,26)