N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CSC1=NC(=CC(=N1)C)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CCN(CC)C(CNC(=O)CSC1=NC(=CC(=N1)C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H30N4O2S/c1-6-25(7-2)19(17-9-8-10-18(12-17)27-5)13-22-20(26)14-28-21-23-15(3)11-16(4)24-21/h8-12,19H,6-7,13-14H2,1-5H3,(H,22,26)