N-(3-ethanoylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C19H22N4O2S/c1-14(24)15-6-5-7-16(10-15)22-18(25)12-26-19-11-17(20-13-21-19)23-8-3-2-4-9-23/h5-7,10-11,13H,2-4,8-9,12H2,1H3,(H,22,25)