1-(3-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3-nitrophenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3-nitrophenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]ethanone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c21-14(12-4-3-5-13(8-12)20(22)23)10-24-16-9-15(17-11-18-16)19-6-1-2-7-19/h3-5,8-9,11H,1-2,6-7,10H2