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

Systemtic Name: 1-(azepan-1-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(6-morpholinopyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-morpholinopyrimidin-4-yl)thio]ethanone Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCOCC3

InChI

InChI=1S/C16H24N4O2S/c21-16(20-5-3-1-2-4-6-20)12-23-15-11-14(17-13-18-15)19-7-9-22-10-8-19/h11,13H,1-10,12H2