1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(1-adamantyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(1-adamantyl)-2-(2-pyrimidylthio)ethanone Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C16H20N2OS/c19-14(10-20-15-17-2-1-3-18-15)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2