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

Systemtic Name: N-[(3-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(3-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(3-fluorophenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(3-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-fluorobenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19FN6O2 MolecularWeight: 346.359463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H19FN6O2/c1-21-5-7-22(8-6-21)16-14(23(24)25)15(19-11-20-16)18-10-12-3-2-4-13(17)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,18,19,20)