(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C11H16ClN4OS+ MolecularWeight: 287.78894

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C11H15ClN4OS/c1-15-3-5-16(6-4-15)10(17)9-8(12)7-13-11(14-9)18-2/h7H,3-6H2,1-2H3/p+1