4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C25H28FN7O2 MolecularWeight: 477.533923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H28FN7O2/c26-21-8-4-5-9-22(21)30-14-16-32(17-15-30)25-23(33(34)35)24(27-19-28-25)31-12-10-29(11-13-31)18-20-6-2-1-3-7-20/h1-9,19H,10-18H2