[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-benzylsulfanyl-5-chloro-pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-benzylsulfanyl-5-chloropyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(benzylthio)-5-chloro-pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H20ClN4OS+ MolecularWeight: 363.8849

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C17H19ClN4OS/c1-21-7-9-22(10-8-21)16(23)15-14(18)11-19-17(20-15)24-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1