2-[4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H27N6O2S+ MolecularWeight: 439.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=NC(=C3C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=NC(=C3C#N)C)C

InChI

InChI=1S/C22H26N6O2S/c1-15-4-6-18(7-5-15)26-20(29)13-27-8-10-28(11-9-27)21(30)14-31-22-19(12-23)16(2)24-17(3)25-22/h4-7H,8-11,13-14H2,1-3H3,(H,26,29)/p+1