N-[2-(azepan-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2N3CCCCCC3)C

InChI

InChI=1S/C20H26N4OS/c1-15-13-16(2)22-20(21-15)26-14-19(25)23-17-9-5-6-10-18(17)24-11-7-3-4-8-12-24/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,23,25)