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

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C12H18ClN4OS+ MolecularWeight: 301.81552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4OS/c1-3-16-4-6-17(7-5-16)11(18)10-9(13)8-14-12(15-10)19-2/h8H,3-7H2,1-2H3/p+1