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

Systemtic Name: N-(3-ethanoylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C18H20N4O2S/c1-13(23)14-5-4-6-15(9-14)21-17(24)11-25-18-10-16(19-12-20-18)22-7-2-3-8-22/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,21,24)