4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5S/c1-21-8-10-22(11-9-21)16-14(12-18)15(19-17(20-16)23-2)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3/p+1