4-methyl-2-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-2-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-methyl-2-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 4-methyl-2-phenyl-6-[2-(1-piperidin-1-iumyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-2-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 4-methyl-2-phenyl-6-(2-piperidin-1-ium-1-ylethylthio)pyrimidine-5-carbonitrile Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+]3CCCCC3)C#N

InChI

InChI=1S/C19H22N4S/c1-15-17(14-20)19(24-13-12-23-10-6-3-7-11-23)22-18(21-15)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-13H2,1H3/p+1