4-tert-butyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethyl]benzamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCSCC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCSCC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)15-8-6-14(7-9-15)19(24)21-10-11-27-13-16-22-17(25-4)12-18(23-16)26-5/h6-9,12H,10-11,13H2,1-5H3,(H,21,24)