3-[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-azanium Openeye Name: 3-[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[[2-(4-chlorophenyl)-5-cyano-6-methyl-4-pyrimidinyl]thio]propyl-dimethylammonium IUPAC Name: 3-[2-(4-chlorophenyl)-5-cyano-6-methylpyrimidin-4-yl]sulfanylpropyl-dimethylazanium Traditional Name: 3-[[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]thio]propyl-dimethyl-ammonium Formula: C17H20ClN4S+ MolecularWeight: 347.8855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4S/c1-12-15(11-19)17(23-10-4-9-22(2)3)21-16(20-12)13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3/p+1