2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]piperazino]-N-phenyl-acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H25N5O2S/c1-15-12-16(2)22-20(21-15)28-14-19(27)25-10-8-24(9-11-25)13-18(26)23-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3,(H,23,26)