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

Systemtic Name: N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-ethyl-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: ethyl-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H19FN6O2 MolecularWeight: 346.359463

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H19FN6O2/c1-2-18-15-14(23(24)25)16(20-11-19-15)22-9-7-21(8-10-22)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19,20)