1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(2-pyrimidylthio)ethanone Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C12H17N3OS/c16-11(15-8-3-1-2-4-9-15)10-17-12-13-6-5-7-14-12/h5-7H,1-4,8-10H2