N-[(3-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(3-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(3-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-fluorobenzyl)amine Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

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