6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C22H23FN6O2 MolecularWeight: 422.455423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN6O2/c23-18-8-4-5-9-19(18)27-12-14-28(15-13-27)22-20(29(30)31)21(25-16-26-22)24-11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,25,26)