8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C23H19ClN6O2S MolecularWeight: 478.95396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN6O2S/c24-17-6-2-7-18(14-17)28-10-12-29(13-11-28)22-21(30(31)32)23(27-15-26-22)33-19-8-1-4-16-5-3-9-25-20(16)19/h1-9,14-15H,10-13H2