N-[1-(1-adamantyl)ethyl]-2-(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(1-adamantyl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-ethyl-6-methyl-4-pyrimidinyl)thio]-N-[1-(1-adamantyl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[1-(1-adamantyl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)thio]-N-[1-(1-adamantyl)ethyl]acetamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)C)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)C)C

InChI

InChI=1S/C23H33N3O2S/c1-5-19-24-13(2)21(14(3)27)22(26-19)29-12-20(28)25-15(4)23-9-16-6-17(10-23)8-18(7-16)11-23/h15-18H,5-12H2,1-4H3,(H,25,28)