8-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)sulfanylquinoline

Systemtic Name: 8-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)sulfanylquinoline Openeye Name: 8-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)sulfanylquinoline CAS Name: 8-[[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)sulfanylquinoline Traditional Name: 8-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)thio]quinoline Formula: C16H10N6O2S MolecularWeight: 350.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4)N=CC=C2

InChI

InChI=1S/C16H10N6O2S/c23-22(24)14-15(21-8-7-17-10-21)19-9-20-16(14)25-12-5-1-3-11-4-2-6-18-13(11)12/h1-10H