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

Systemtic Name: 1-(4-nitrophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-15(13-4-6-14(7-5-13)21(23)24)11-25-17-10-16(18-12-19-17)20-8-2-1-3-9-20/h4-7,10,12H,1-3,8-9,11H2