2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-azanium Openeye Name: 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-ammonium CAS Name: 2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]ethyl-dimethylammonium IUPAC Name: 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylethyl-dimethylazanium Traditional Name: 2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]ethyl-dimethyl-ammonium Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)C#N

InChI

InChI=1S/C16H18N4S/c1-12-14(11-17)16(21-10-9-20(2)3)19-15(18-12)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3/p+1