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

Systemtic Name: 8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]thio]quinoline Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O2S/c30-29(31)21-22(28-14-12-27(13-15-28)18-8-2-1-3-9-18)25-16-26-23(21)32-19-10-4-6-17-7-5-11-24-20(17)19/h1-11,16H,12-15H2