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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN6O2/c1-26(15-17-5-3-2-4-6-17)21-20(29(30)31)22(25-16-24-21)28-13-11-27(12-14-28)19-9-7-18(23)8-10-19/h2-10,16H,11-15H2,1H3