6-(2-methylpiperidin-1-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(2-methylpiperidin-1-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-(2-methyl-1-piperidyl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-(2-methyl-1-piperidinyl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-(2-methylpiperidin-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C17H18F3N5O3 MolecularWeight: 397.35173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O3/c1-11-4-2-3-9-24(11)16-14(25(26)27)15(21-10-22-16)23-12-5-7-13(8-6-12)28-17(18,19)20/h5-8,10-11H,2-4,9H2,1H3,(H,21,22,23)