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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C28H27FN6O2 MolecularWeight: 498.551383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27FN6O2/c29-24-11-13-25(14-12-24)32-15-17-33(18-16-32)27-26(35(36)37)28(31-21-30-27)34(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-14,21H,15-20H2