1-(4-ethyl-1,4-diazepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-(2-pyrimidylthio)ethanone Formula: C13H20N4OS MolecularWeight: 280.3891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCN1CCCN(CC1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H20N4OS/c1-2-16-7-4-8-17(10-9-16)12(18)11-19-13-14-5-3-6-15-13/h3,5-6H,2,4,7-11H2,1H3