N-[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]-N-methyl-benzamide chloride

Systemtic Name: N-[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]-N-methyl-benzamide chloride Openeye Name: N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]-N-methyl-benzamide chloride CAS Name: N-[4-chloro-6-(4-methyl-1-piperazin-4-iumyl)-5-(methylthio)-2-pyrimidinyl]-N-methylbenzamide chloride IUPAC Name: N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride Traditional Name: N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-(methylthio)pyrimidin-2-yl]-N-methyl-benzamide chloride Formula: C18H23Cl2N5OS MolecularWeight: 428.37912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC.[Cl-]

InChI

InChI=1S/C18H22ClN5OS.ClH/c1-22-9-11-24(12-10-22)16-14(26-3)15(19)20-18(21-16)23(2)17(25)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3;1H