4-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C19H24N5S+ MolecularWeight: 354.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)C)SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)C)SC

InChI

InChI=1S/C19H23N5S/c1-4-23-9-11-24(12-10-23)18-16(13-20)17(21-19(22-18)25-3)15-7-5-14(2)6-8-15/h5-8H,4,9-12H2,1-3H3/p+1