1-(1-adamantyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H24N2OS/c1-11-3-12(2)20-17(19-11)22-10-16(21)18-7-13-4-14(8-18)6-15(5-13)9-18/h3,13-15H,4-10H2,1-2H3