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

Systemtic Name: 1-(4-bromophenyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-(6-morpholinopyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(6-morpholinopyrimidin-4-yl)thio]ethanone Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O2S/c17-13-3-1-12(2-4-13)14(21)10-23-16-9-15(18-11-19-16)20-5-7-22-8-6-20/h1-4,9,11H,5-8,10H2