N-(4-fluoranyl-3-nitro-phenyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(6-morpholinopyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(6-morpholinopyrimidin-4-yl)thio]acetamide Formula: C16H16FN5O4S MolecularWeight: 393.392743

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN5O4S/c17-12-2-1-11(7-13(12)22(24)25)20-15(23)9-27-16-8-14(18-10-19-16)21-3-5-26-6-4-21/h1-2,7-8,10H,3-6,9H2,(H,20,23)