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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O2/c1-2-28(19-6-4-3-5-7-19)22-20(29(30)31)21(24-16-25-22)27-14-12-26(13-15-27)18-10-8-17(23)9-11-18/h3-11,16H,2,12-15H2,1H3