3-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-azanium Openeye Name: 3-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]propyl-dimethylammonium IUPAC Name: 3-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylpropyl-dimethylazanium Traditional Name: 3-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]propyl-dimethyl-ammonium Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S/c1-13-15(12-18)17(22-11-7-10-21(2)3)20-16(19-13)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3/p+1