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

Systemtic Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-methoxyphenyl)-4-methyl-6-[2-(1-piperidin-1-iumyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-piperidin-1-ium-1-ylethylthio)pyrimidine-5-carbonitrile Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-15-18(14-21)20(26-13-12-24-10-4-3-5-11-24)23-19(22-15)16-6-8-17(25-2)9-7-16/h6-9H,3-5,10-13H2,1-2H3/p+1