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

Systemtic Name: 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-(6-morpholinopyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(6-morpholinopyrimidin-4-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c21-14(12-2-1-3-13(8-12)20(22)23)10-25-16-9-15(17-11-18-16)19-4-6-24-7-5-19/h1-3,8-9,11H,4-7,10H2