1-(azepan-1-yl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]ethanone Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H28N4O2S/c1-14-10-22(11-15(2)24-14)16-9-17(20-13-19-16)25-12-18(23)21-7-5-3-4-6-8-21/h9,13-15H,3-8,10-12H2,1-2H3