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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[2-(4-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3O2S/c1-15-13-16(2)23-21(22-15)27-14-20(25)24-12-6-4-5-7-19(24)17-8-10-18(26-3)11-9-17/h8-11,13,19H,4-7,12,14H2,1-3H3