N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H21N3O3S/c1-12-6-8-19-17(20-12)24-11-16(21)18-9-7-13-4-5-14(22-2)15(10-13)23-3/h4-6,8,10H,7,9,11H2,1-3H3,(H,18,21)