2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-N-phenethyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NCCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NCCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H21N3O3S/c1-14-19(15(2)25)21(24-20(23-14)17-9-6-12-27-17)28-13-18(26)22-11-10-16-7-4-3-5-8-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)