8-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C23H19FN6O2S MolecularWeight: 462.499363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN6O2S/c24-17-6-8-18(9-7-17)28-11-13-29(14-12-28)22-21(30(31)32)23(27-15-26-22)33-19-5-1-3-16-4-2-10-25-20(16)19/h1-10,15H,11-14H2