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

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C16H17F3N6O2 MolecularWeight: 382.34039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N6O2/c1-23-6-8-24(9-7-23)15-13(25(26)27)14(20-10-21-15)22-12-4-2-11(3-5-12)16(17,18)19/h2-5,10H,6-9H2,1H3,(H,20,21,22)