8-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)sulfanylquinoline CAS Name: 8-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)thio]quinoline Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O2S/c27-26(28)19-20(25-12-10-14-5-1-2-8-16(14)25)23-13-24-21(19)29-17-9-3-6-15-7-4-11-22-18(15)17/h1-9,11,13H,10,12H2