N-cyclohexyl-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]-N-cyclohexylacetamide IUPAC Name: 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]-N-cyclohexyl-acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3CCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3CCCCC3)C(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-14-19(15(2)25)21(24-20(22-14)16-9-5-3-6-10-16)27-13-18(26)23-17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,23,26)