2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2C3=CC=CN3C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2C3=CC=CN3C)C

InChI

InChI=1S/C19H26N4OS/c1-14-12-15(2)21-19(20-14)25-13-18(24)23-11-6-4-5-8-17(23)16-9-7-10-22(16)3/h7,9-10,12,17H,4-6,8,11,13H2,1-3H3